Browse result page of Hmrbase2

This is the result page of the browse module of Hmrbase2. This page gives the information about the query submitted by the user as per the browse category. Further details of the entries can be seen by clicking on the ID. Further the user can sort the entries on the basis of various fields by clicking on the respective headers. The user can also download the results in various formats.


IDPubchem IDNameDescriptionSynonymMolecular WeightFormulaIUPACSMILEPDB IDMelting PointWater SolubilityReceptor
2000516987017-alpha-hydroxy-progesterone caproateNADelalutin 17-alpha-hydroxy-progesterone caproate Primolut Depot Estralutin Hormofort Hyproval Kaprogest Syngynon Hylutin Relutin Lutate428.6C27H40O4[(8R;9S;10R;13S;14S;17R)-17-acetyl-10;13-dimethyl-3-oxo-2;6;7;8;9;11;12;14;15;16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoateCCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)CNANANAP06401; P06186; P59667
20009636374Alclometasone dipropionateNAAclovate alclometasone dipropionate alclometasone Aclosone Legederm Modrasone Delonal Almeta Vaderm521.04C28H37ClO7[(7R;8S;9S;10R;11S;13S;14S;16R;17R)-7-chloro-11-hydroxy-10;13;16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-7;8;9;11;12;14;15;16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoateCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3C2C(CC4=CC(=O)C=CC34C)Cl)O)C)C)OC(=O)CCNANANANA
2001232327Algestone AcetophenideA progesterone that has been used in ESTRUS SYNCHRONIZATION and has been evaluated as an injectable contraceptive in combination with estradiol enanthate. It is also used therapeutically as a topical anti-inflammatory and is applied topically in the treatment of ACNE.Deladroxone Bovitrol Neolutin Droxone Algeston acetofenid P-Dhp Alphasone acetophenide448.59C29H36O4NACC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C6=CC=CC=C6NA150.5NANA
2001920469BeclomethasoneAn anti-inflammatory; synthetic glucocorticoid. It is used topically as an anti-inflammatory agent and in aerosol form for the treatment of ASTHMA.beclomethasone Becotide Beclometason Beclocort408.92C22H29ClO5(8S;9R;10S;11S;13S;14S;16S;17R)-9-chloro-11;17-dihydroxy-17-(2-hydroxyacetyl)-10;13;16-trimethyl-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-3-oneCC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)CNANANAP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
2002021700Beclomethasone dipropionateAn anti-inflammatory; synthetic glucocorticoid. It is used topically as an anti-inflammatory agent and in aerosol form for the treatment of ASTHMA.Beclovent Beclomethasone Vanceril Becloturmant Becloforte Beclorhinol Sanasthmax Sanasthmyl Aldecina Aldecine Beclacin521.04C28H37ClO7[(8S;9R;10S;11S;13S;14S;16S;17R)-9-chloro-11-hydroxy-10;13;16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-17-yl] propanoateCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CCNANANAP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
2002216533Betamethasone 17-ValerateThe 17-valerate derivative of BETAMETHASONE. It has substantial topical anti-inflammatory activity and relatively low systemic anti-inflammatory activity.beta-Val Betnovateat Celestoderm Betatrex Betnovate Betamethasone 17-Valerate Valisone Luxiq Betaderm Dermabet Valnac476.58C27H37FO6[(8S;9R;10S;11S;13S;14S;16S;17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10;13;16-trimethyl-3-oxo-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoateCCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CONA2229.29mg/ml at 25CP04150
2002365478betamethasone sodium phosphatephosphate ester of betamethasone; RN given refers to the di-Na salt (11beta;16beta)-isomer; structure in Negwer;5th ed; 4975Bentelan betamethasone sodium phosphate Betnesol Celestone Linolosal Linosal Celestone Soluspan Celestone Phosphate Betasone (Veterinary) beta-Methasone phosphate516.4C22H28FNa2O8Pdisodium[2-[(8S;9R;10S;11S;13S;14S;16S;17R)-9-fluoro-11;17-dihydroxy-10;13;16-trimethyl-3-oxo-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphateCC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]NANANAP04150
200263033890BudesonideA glucocorticoid used in the management of ASTHMA; the treatment of various skin disorders; and allergic RHINITIS.budesonide Cortivent Entocort Micronyl Preferid Pulmicort Respules Rhinocort Spirocort Budeson430.53C25H34O6NACCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)CNA226NAP04150
200285311051ClobetasolA derivative of PREDNISOLONE with high glucocorticoid activity and low mineralocorticoid activity. Absorbed through the skin faster than FLUOCINONIDE; it is used topically in treatment of PSORIASIS but may cause marked adrenocortical suppression.clobetasol Clobecort Amex410.91C22H28ClFO4(8S;9R;10S;11S;13S;14S;16S;17R)-17-(2-chloroacetyl)-9-fluoro-11;17-dihydroxy-10;13;16-trimethyl-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-3-oneCC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)F)CNANANAP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
2002932798Clobetasol propionateA derivative of PREDNISOLONE with high glucocorticoid activity and low mineralocorticoid activity. Absorbed through the skin faster than FLUOCINONIDE; it is used topically in treatment of PSORIASIS but may cause marked adrenocortical suppression.Clobex Clobetasol Clobesol Dermovate Temovate Cormax Luxiq Temovate E Embeline Olux466.97C25H32ClFO5[(8S;9R;10S;11S;13S;14S;16S;17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10;13;16-trimethyl-3-oxo-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-17-yl] propanoateCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CClNA222.53.86mg/ml at 25CP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
2003071386Clobetasone butyrateNAEumovate Molivate Kindavate Trimovate Emovate Kindavate (TN) Clobetasone 17-butyrate clobetasone butyrate478.98C26H32ClFO5[(8S;9R;10S;13S;14S;16S;17R)-17-(2-chloroacetyl)-9-fluoro-10;13;16-trimethyl-3;11-dioxo-7;8;12;14;15;16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoateCCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CClNA950.6mg/ml at 25CNA
2004316752Dexamethasone IsonicotinateAn anti-inflammatory; anti-allergic glucocorticoid that can be administered orally; by inhalation; locally; and parenterally. It may cause water and salt retention.Auxiloson Auxilson Auxilsone Voren Auxison Dexamethasone 21-isonicotinate Dexamethasone Isonicotinate497.56C28H32FNO6[2-[(8S;9R;10S;11S;13S;14S;16R;17R)-9-fluoro-11;17-dihydroxy-10;13;16-trimethyl-3-oxo-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyridine-4-carboxylateCC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC=NC=C5)O)C)O)F)CNANANANA
2004771414Diflorasone diacetateRN given refers to (6alpha;11beta;16beta)-isomer; structureFlorone diflorasone diacetate Psorcon Maxiflor diflorasone diacetate diflorasone Apexicon e Psorcon (TN) Diflorasone di(acetate)494.52C26H32F2O7[(6S;8S;9R;10S;11S;13S;14S;16S;17R)-17-(2-acetyloxyacetyl)-6;9-difluoro-11-hydroxy-10;13;16-trimethyl-3-oxo-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-17-yl] acetateCC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)FNANANANA
200509305DiiodotyrosineA product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones; diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE).L-Diiodotyrosine 3;5-Diiodo-L-tyrosine DIT (amino acid) L-3;5-Diiodotyrosine 3;5-L-Diiodotyrosine 3;5-Iodo-L-tyrosine 3;5-DIIODOTYROSINE L-Tyrosine; 3;5-diiodo-432.98C9H9I2NO3(2S)-2-amino-3-(4-hydroxy-3;5-diiodophenyl)propanoic acidC1=C(C=C(C(=C1I)O)I)CC(C(=O)O)NNANA617mg/ml at 25CNA
2005219212alpha-EcdysoneA steroid hormone that regulates the processes of MOLTING or ecdysis in insects.alpha-Ecdysone Ecdysone464.63C27H44O6(2S;3R;5R;9R;10R;13R;14S;17R)-17-[(2S;3R)-3;6-dihydroxy-6-methylheptan-2-yl]-2;3;14-trihydroxy-10;13-dimethyl-2;3;4;5;9;11;12;15;16;17-decahydro-1H-cyclopenta[a]phenanthren-6-oneCC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)ONANANANA
200535459840EcdysteroneA steroid hormone that regulates the processes of MOLTING or ecdysis in insects. Ecdysterone is the 20-hydroxylated ECDYSONE.Ecdysterone beta-Ecdysone Polypodine A Crustecdysone Isoinokosterone Viticosterone Commisterone Crustecdyson Ecdysteron 20-HYDROXYECDYSONE480.63C27H44O7(2S;3R;5R;9R;10R;13R;14S;17S)-2;3;14-trihydroxy-10;13-dimethyl-17-[(2R;3R)-2;3;6-trihydroxy-6-methylheptan-2-yl]-2;3;4;5;9;11;12;15;16;17-decahydro-1H-cyclopenta[a]phenanthren-6-oneCC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O2R40NANAP17672; P13055; P17671; O01639; P50239; Q08893; P45447; P49880; P49881; P49882; P34021; O18473; O18531; P49883
2006716490FlumethasoneAn anti-inflammatory glucocorticoid used in veterinary practice.Flumethasone Flucorticin Flumethason Cortexilar Anaprime Aniprime Methagon Flucort Fluvet410.45C22H28F2O5(6S;8S;9R;10S;11S;13S;14S;16R;17R)-6;9-difluoro-11;17-dihydroxy-17-(2-hydroxyacetyl)-10;13;16-trimethyl-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-3-oneCC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)FNANA1mg/ml at 20CNA
200686215Fluocinolone AcetonideA glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream; gel; lotion; or ointment. It has also been used topically in the treatment of inflammatory eye; ear; and nose disorders. (From Martindale; The Extra Pharmacopoeia; 30th ed; pSynandone Synalar Fluocinolone Acetonide Synandrone Coriphate Fluovitif Flupollon Percutina Dermalar Flucinar Fluocinolone Acetonide452.49C24H30F2O6NACC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)CNA265.511mg/ml at 25CP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
200699642FluocinonideA topical glucocorticoid used in the treatment of ECZEMA.Fluocinonide Lidex Fluocinonide Vanos Bestasone Biscosal Cortalar Flucinar Straderm Topsymin494.52C26H32F2O7NACC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)CNA3094.74mg/ml at 25CP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
2007415209FlurandrenoloneA corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment; and is also used as a polyethylene tape with an adhesive. (From Martindale; The Extra Pharmacopoeia; 30th ed; p733)Flurandrenolone Fludroxycortide Cordran Fludroxicortidum Drenison Drocort Sermaka Haelan436.51C24H33FO6NACC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)CNA251NAP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
200825920TriiodothyronineA T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tliothyronine Triiodothyronine Liothyronin L-Liothyronine triothyrone Lyothyronine Tresitope Tri-Thyrotope T3 liothyronine Triiodo-L-thyronine650.97C15H12I3NO4(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3;5-diiodophenyl]propanoicacidC1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O1BSX;1SN5;1XZX;2H6W;2H77;2H79;2PIV;2PIW236.53.96mg/ml at 37CP10827; P10828; P37243
2008530605Mepitiostaneorally active anti-estrogenic steroid; RN refers to (2alpha;3alpha;5alpha;17beta)-isomer; structureMepitiostane Mepitiostanum Mepitiostano404.65C25H40O2SNACC12CCC3C(C1CCC2OC4(CCCC4)OC)CCC5C3(CC6C(C5)S6)CNANANANA
2009216923Methylprednisolone HemisuccinateA water-soluble ester of METHYLPREDNISOLONE used for cardiac; allergic; and hypoxic emergencies.Solumedrol Methylprednisolone Hemisuccinate Urbason-Soluble A-Methapred Solu-Medrol Methylprednisolone succinate474.54C26H34O84-[2-[(6S;8S;9S;10R;11S;13S;14S;17R)-11;17-dihydroxy-6;10;13-trimethyl-3-oxo-7;8;9;11;12;14;15;16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acidCC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)ONANANAP04150
2009323680530Methylprednisolone sodium succinateA water-soluble ester of METHYLPREDNISOLONE used for cardiac; allergic; and hypoxic emergencies.A-Methapred Methylprednisolone Hemisuccinate Solu-Medrol Asmacortone Metypresol Corticel Emmetipi Metypred Prednilem Firmacort Fiale Nirypan solubile496.53C26H33NaO8sodium4-[2-[(6S;8S;9S;10R;11S;13S;14S;17R)-11;17-dihydroxy-6;10;13-trimethyl-3-oxo-7;8;9;11;12;14;15;16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoateCC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)[O-])O.[Na+]NANANAP04150
200969677Nandrolone decanoatestructure; used in the treatment of HIV wasting diseaseRetabolil nandrolone decanoate Deca-Durabolin naboline Deca-Hybolin Decadurabolin nandrolone decanoate Decadurobolin nandrolone decanoate Adenocorin Salistoperm Superbolan Anabolin428.65C28H44O3[(8R;9S;10R;13S;14S;17S)-13-methyl-3-oxo-2;6;7;8;9;10;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]decanoateCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)CNANANANA
201026714002PrednicarbateNADermatop Peitel PREDNICARBATE Dermatop (TN) Dermatop E emollient488.57C27H36O8[2-[(8S;9S;10R;11S;13S;14S;17R)-17-ethoxycarbonyloxy-11-hydroxy-10;13-dimethyl-3-oxo-7;8;9;11;12;14;15;16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoateCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCCNANANAP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
2011022069Reverse T3A metabolite of THYROXINE; formed by the peripheral enzymatic monodeiodination of T4 at the 5 position of the inner ring of the iodothyronine nucleus.Reverse T3 Triiodothyronine; reverse Triiodothyronine; Reverse 3;3';5'-Triiodothyronine Triiodothyronine; Reverse REVERSE TRIIODOTHYRONINE Triiodothyronine; Reverse 3;3';5'-Triiodo-L-thyronine T0650.97C15H12I3NO42-amino-3-[4-(4-hydroxy-3;5-diiodophenoxy)-3-iodophenyl]propanoic acidC1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)INANANANA
201146012Testosterone 17 beta-cypionateNADepovirin Jectatest Pertestis Durandro Andro-Cyp Depo-Testosterone testosterone 17 beta-cypionate Dep-Test Malogen CYP Depo-Testadiol Testodrin prolongatum412.6C27H40O3(10;13-dimethyl-3-oxo-1;2;6;7;8;9;11;12;14;15;16;17-dodecahydrocyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoateCC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35CNANANAQ9TT90; Q8MIK0; O97776; P10275; O97952; Q6QT55; P19091; O97775; O97960; Q9GKL7; P49699; Q7T1K4; P15207; O18925; O18928; O55065; O55066; O93244; O93245
201165819L-thyroxineThe major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine isL-thyroxine Thyroxine levothyroxine synthroid thyroxin Thyroxine iodine Levothyroxin Thyreoideum Thyratabs Thyroxinal776.87C15H11I4NO4(2S)-2-amino-3-[4-(4-hydroxy-3;5-diiodophenoxy)-3;5-diiodophenyl]propanoicacidC1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N1ICT;1IE4;1HK1;1HK2;1HK3;1HK4;1HK5;1SN0;1Y0X;2CEO;2ROX;2RIW;1ETA;1ETB235.51.05E-04mg/ml at 25CP10828; P10827
201206436Triamcinolone AcetonideAn esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional; intramuscular; and intra-articular injections are also administered under certain conditions.Kenalog Triamcinolone Acetonide Polcortolon Aristoderm Aristogel Triaceton Tricinolon Azmacort Triamcinolone Acetonide Kenalone Nasacort Solodelf434.5C24H31FO6NACC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)CNA29321mg/ml at 28CP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
20130NA5a-Cholestane-3a;7a;12a;25-tetrol5a-Cholestane-3a;7a;12a;25-tetrol is a bile alcohols which is excreted mainly as glucurono-conjugates in bile and urine; and as unconjugated form in feces of patients with cerebrotendinous xanthomatosis (PMID 3700361)5a-Cholestane-3a;7a;12a;25-tetrol436.67C27H48O4(3a;5a;7a;12a)-Cholestane-3;7;12;25-tetrolCC(CCCC(C)(C)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CNANANANA
20133119394CampestanolNACampestanol Campestan-3beta-ol 24beta-Ethylcholestanol 5alpha-Dihydrocampesterol 24beta-Methyl cholestanol 5alpha-campestan-3beta-ol 5alpga-Ergostan-3-beta-ol (24R)-5alpha-ergostan-3beta-ol402.7C28H50O(3S;5S;8R;9S;10S;13R;14S;17R)-17-[(2R;5R)-5;6-dimethylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olCC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)CNANANANA
20137636741SitosterolRN given refers to cpd without isomeric designation; structure in first sourceClionasterol sitosterol GAMMA-SITOSTEROL (24alphaFH)-stigmast-5-en-3beta-ol (3beta;8xi;9xi;10xi;13xi;14xi;17xi;24S)-stigmast-5-en-3-ol stigmast-5-en-3-ol; (3beta;8xi;9xi;10xi;13xi;14xi;17xi;24S)- 414.71C29H50O(3S;8R;9R;10S;13R;14S;17R)-17-[(2R;5S)-5-ethyl-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CNANANAQ9YHT3; P49884; P06212; Q91424; P57717; Q53AD2; Q9TV98; P03372; Q9YHZ7; P49886; Q9QZJ5; P57753; P19785; P16058; P50240; Q9YH33; P50241; O42132; Q29040
20139NATauroursocholic acidTauroursocholic acid is a bile acid formed in the liver by conjugation of deoxycholate with taurine; usually as the sodium salt. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute; depends only on presence or absence of hydroxyTauroursocholate#Tauroursocholic acid#Ursocholyltaurine515.7C26H45NO7S2-[[(3a;5b;7b;12a)-3;7;12-trihydroxy-24-oxocholan-24-yl]amino]-Ethanesulfonic acidCC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CNANANANA
20142NATaurallocholic acidAn ethanesulfonic acid derivative of Cholane. Tauroallocholic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute; depends only on presence or absence of hydroxyl groups on positions 3; 7; and 12.Taurallocholate#Taurallocholic acid515.7C26H45NO7S2-[[(3a;5a;7a;12a)-3;7;12-trihydroxy-24-oxocholan-24-yl]amino]-Ethanesulfonic acidCC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CNANANANA
2014513318732-oxolanosterolfound in mevalonate-treated cell cultures32-Oxolanosterol 32-Ketolanosterol Lanosta-8;24-dien-30-al; 3-hydroxy-; (3beta)-440.7C30H48O2(3S;10S;13R;14S;17R)-3-hydroxy-4;4;10;13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2;3;5;6;7;11;12;15;16;17-decahydro-1H-cyclopenta[a]phenanthrene-14-carbaldehydeCC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C=ONANANANA
2014752842085beta-Cholestane-3alpha;7alpha;12alpha;23-tetrolNA5beta-Cholestane-3alpha;7alpha;12alpha;23-tetrol436.67C27H48O4(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-17-[(2R)-4-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(C)CC(CC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)ONANANANA
2014813288627-norcholestane-3;7;12;24;25-pentolbile alcohol found in urine27-Norcholestane-3;7;12;24;25-pentol 26(or 27)-Norcholestane-3;7;12;24;25-pentol 27-NC-3;7;12;24;25-PO 27-Nor-5beta-cholestane-3alpha;7alpha;12alpha;24;25-pentol 27-Norcholestane-3;7;12;24;25-pentol;438.64C26H46O5(3R;5S;7R;8R;9S;10S;12S;13R;14S;17S)-17-[(2R)-5;6-dihydroxyheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CCC(C(C)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
20150NA7a;12a-Dihydroxy-cholestene-3-one7a;12a-Dihydroxy-cholestene-3-one is an intermediate in bile acid synthesis; is considerably higher in patients with cerebrotendinous xanthomatosis (CTX) than in the normal liver. (PMID 7017048)7-alpha;12-alpha-dihydroxy-4-cholesten-3-one#7-alpha;12-alpha-dihydroxycholest-4-en-3-one#7-a;12-a-dihydroxy-4-cholesten-3-one#7-a;12-a-dihydroxycholest-4-en-3-one#7alpha;12alpha-Dihydroxy-cholestene-416.64C27H44O3NACC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)C=CC4(C)C3CC(O)C12CNANANANA
20151194244Taurochenodeoxycholate-3-sulfateNATCDCS Taurochenodeoxycholate-3-sulfate Taurochenodeoxycholate-3-sulfate conjugate Ethanesulfonic acid; 2-(((3alpha;5beta;7alpha)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl)am ino)-; (S)-579.77C26H45NO9S22-[[(4R)-4-[(3R;5R;7R;10S;13R;17R)-7-hydroxy-10;13-dimethyl-3-sulfooxy-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)O)CNANANANA
20152451487Taurolithocholic acid 3-sulfateNATaurolithocholic acid 3-sulfate Ethanesulfonic acid; 2-(((3.alpha.; 5.beta.)-24-oxo-3-(sulfooxy)cholan-24-yl)amino)-563.77C26H45NO8S22-[[(4R)-4-[(3R;5R;8R;10S;13R;14S;17R)-10;13-dimethyl-3-sulfooxy-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)CNANANANA
20153NATaurocholic acid 3-sulfateTaurocholic acid 3-sulfate is a sulfated bile acid. It is a sulfate salt of taurocholic acid and is also known as cholaic acid; cholyltaurine; or acidum cholatauricum. Under normal circumstances; bile acid sulfation is a minor pathway. However in the presence of cholestasis; the fraction of the bile3-Sulfocholyltaurine#Taurocholic acid 3-sulfate#Taurocholic acid 3-sulfic acid#Taurocholic acid 3a-sulfate595.77C26H45NO10S22-[[(3a;5b;7a;12a)-7;12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acidCC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3C(O)CC4CC(CCC4(C)C3CC(O)C12C)OS(O)(=O)=ONANANANA
2015616768522-hydroxycholesterolNA22R-hydroxycholesterol 22-hydroxycholesterol 22(R)-Hydroxycholesterol 22beta-Hydroxycholesterol 22alpha-Hydroxycholesterol (22R)-22-Hydroxycholesterol cholest-5-en-3beta;22R-diol 5-Cholestene-3be402.65C27H46O2(3S;8S;9S;10R;13S;14S;17R)-17-[(2S;3R)-3-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)ONANANAQ3SZL0; Q96RI1; Q60641; Q62735; Q811W9; Q811X0; Q811X1; Q811X2; Q8JHU2
2015744071120-hydroxycholesterolRN given refers to (20S)-isomer20alpha-Hydroxycholesterol (3BETA;20R)-CHOLEST-5-ENE-3;20-DIOL (3S;8S;9S;10R;13S;14S;17S)-17- -10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopent aphenanthren-3-ol402.65C27H46O2(3S;8S;9S;10R;13S;14S;17S)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCC(C)CCCC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O1ZHWNANANA
2017164404217-hydroxypregnenolone sulfateRN given refers to unspecified sulfate position in Chemline17OH-Psulf 17-Hydroxypregnenolone sulfate 17-Hydroxypregnenolone 3-sulfate 17alpha-Hydroxypregnenolone sulfate 17alpha-Hydroxypregnenolone 3-sulfate pregn-5-en-20-one; 17-hydroxy-3-(sulfooxy)-; (3b412.54C21H32O6S[(3S;8R;9S;10R;13S;14S;17R)-17-acetyl-17-hydroxy-10;13-dimethyl-1;2;3;4;7;8;9;11;12;14;15;16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogensulfateCC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C)ONANANANA
2017452842125beta-Cholestane-3alpha;7alpha;12alpha;23;25-pentolNA5beta-Cholestane-3alpha;7alpha;12alpha;23;25-pentol452.67C27H47O5(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-17-[(2R)-4;6-dihydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CC(CC(C)(C)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
20176NA5b-Cholestane-3a;7a;12a;23R;25-pentol5b-Cholestane-3a;7a;12a;23R;25-pentol is a bile alcohol present in the urine of patients with cerebrotendinous xanthomatosis; but not in feces. A possible explanation for the urinary cholestanepentols is that the major serum bile alcohol; 5b-cholestane-3a;7a;12a;25-tetrol; might be hydroxylated at C17-(3;5-dihydroxy-1;5-dimethyl-hexyl)-10;13-dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3;7;12-triol#5b-Cholestane-3a;7a;12a;23R;25-pentol452.67C27H48O5NACC(CC(O)CC(C)(C)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CNANANANA
2017752842135beta-Cholestane-3alpha;7alpha;12alpha;24;25-pentolNA5beta-Cholestane-3alpha;7alpha;12alpha;24;25-pentol452.67C27H48O5(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-17-[(2R)-5;6-dihydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CCC(C(C)(C)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
2017852842505alpha-Cholestane-3alpha;7alpha;12alpha;23;25-pentolNA5alpha-Cholestane-3alpha;7alpha;12alpha;23;25-pentol452.67C27H48O5(3R;5R;7R;8R;9S;10S;12S;13R;14S;17R)-17-[(2R)-4;6-dihydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CC(CC(C)(C)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
2018065076Cholesteryl sulfatecomponent of human seminal plasma and spermatozoa; RN given refers to (3beta)-isomerCholesterol sulfate Cholesteryl sulfate Chol-sulf Cholesterol 3-sulfate Y5-Cholesten-3beta-yl sulfate Cholest-5-en-3beta-ol sulfate466.72C27H46O4S[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfateCC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C1S0X;2HKANANAP35398
20181167758Cholestane-3;7;12;25-tetrolbile alcohol; structure in 4th sourceCholestane-3;7;12;25-tetrol 5beta-Cholestane-3alpha;7alpha;12alpha;25-tetrol 5beta-Cholestane-3beta;7alpha;12alpha;25-tetrol Cholestane-3;7;12;25-tetrol; (3alpha;5beta;7alpha;12alpha)-436.67C27H48O4(3R;5S;7R;8R;9S;10S;12S;13R;14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CCCC(C)(C)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
2018310594Taurodeoxycholic AcidA bile salt formed in the liver by conjugation of deoxycholate with taurine; usually as the sodium salt. It is used as a cholagogue and choleretic; also industrially as a fat emulsifier.Taurodeoxycholate Deoxycholyltaurine Taurine Deoxycholate TAURODEOXYCHOLIC ACID SODIUM TAURODEOXYCHOLATE Ethanesulfonic acid; 2-(((3alpha;5beta;12alpha)-3;12-dihydroxy-24-oxocholan-24-yl)amino)-499.7C26H45NO6S2-[4-[(3R;5R;8R;9S;10S;12S;13R;14S;17R)-3;12-dihydroxy-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)CNANANAQ3SZL0; Q96RI1; Q60641; Q62735
2018510591Taurochenodeoxycholic AcidA bile salt formed in the liver by conjugation of chenodeoxycholate with taurine; usually as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed. It is used as a cholagogue and choleretic.Taurochenodeoxycholate Chenodeoxycholyltaurine Taurine chenodeoxycholate TAUROCHENODEOXYCHOLIC ACID Ethanesulfonic acid; 2-(((3alpha;5beta;7alpha)-3;7-dihydroxy-24-oxocholan-24-yl)amino)-499.7C26H45NO6S2-[4-[(3R;5S;7R;8R;9S;10S;13R;14S;17R)-3;7-dihydroxy-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CNANANAQ3SZL0; Q96RI1; Q60641; Q62735
201884432124;4-dimethylcholesta-8;14;24-trienola meiosis activating sterol; RN given refers to (5alpha;3beta)-isomer4;4-Dimechol-8;14;24-trienol 4;4-Dimethylcholesta-8;14;24-trienol 4;4-Dimethyl-5alpha-cholesta-8;14;24-trien-3beta-ol (3beta;5alpha)-4;4-Dimethylcholesta-8;14;24-trien-3-ol Cholesta-8;14;24-trien-3-o410.67C29H46O(3S;5R;10S;13R;17R)-4;4;10;13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1;2;3;5;6;7;11;12;16;17-decahydrocyclopenta[a]phenanthren-3-olCC(CCC=C(C)C)C1CC=C2C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)CNANANANA
201916564564alpha-formyl-5alpha-cholesta-8;24-dien-3beta-olNA4alpha-formyl-5alpha-cholesta-8;24-dien-3beta-ol412.65C28H44O23-hydroxy-10;13-dimethyl-17-(6-methylhept-5-en-2-yl)-2;3;4;5;6;7;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehydeCC(CCC=C(C)C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4C=O)O)C)CNANANANA
201936564494;4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8;24-dien-3beta-olNA4;4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8;24-dien-3beta-ol442.72C30H50O214-(hydroxymethyl)-4;4;10;13-tetramethyl-17-(6-methylhept-5-en-2-yl)-2;3;5;6;7;11;12;15;16;17-decahydro-1H-cyclopenta[a]phenanthren-3-olCC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)CONANANANA
201944403754;4-Dimethyl-5alpha-cholest-7-en-3beta-olNA4;4-Dimethyl-5alpha-cholest-7-en-3beta-ol414.71C29H50O(3S;5R;10R;13R;14R;17R)-4;4;10;13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1;2;3;5;6;9;11;12;14;15;16;17-dodecahydrocyclopenta[a]phenanthren-3-olCC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)CNANANANA
20195571014825-Hydroxyvitamin D29;10-Secoergosta-5;7;10(19);22-tetraene-3;25-diol. Biologically active metabolite of vitamin D2 which is more active in curing rickets than its parent. The compound is believed to attach to the same receptor as vitamin D2 and 25-hydroxyvitamin D3.25-Hydroxycalciferol 25-Hydroxyvitamin D 2 25-Hydroxyvitamin D 25-Hydroxyergocalciferol412.65C28H44O2(1S;3Z)-3-[(2E)-2-[(1R;3aS;7aR)-1-[(E;2R;5S)-6-hydroxy-5;6-dimethylhept-3-en-2-yl]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-olCC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CNANANANA
20197405Cholest-5-en-3 beta;7 alpha-diolsubstrate for hydroxysteroid dehydrogenase; RN given refers to (3beta;7alpha)-isomer7beta-Hydroxycholesterol cholest-5-en-3 beta;7alpha-diol 7alpha-Hydroxycholesterol 5-cholestene-3beta;7beta-diol402.65C27H46O210;13-dimethyl-17-(6-methylheptan-2-yl)-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthrene-3;7-diolCC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)CNANANANA
201991237437 alpha-hydroxy-4-cholesten-3-onestructureCholest-4-en-7alpha-ol-3-one 7-Hydroxycholest-4-en-3-one 7alpha-Hydroxy-4-cholesten-3-one 7 alpha-hydroxy-4-cholesten-3-one Cholest-4-en-3-one; 7-hydroxy-; (7alpha)-400.64C27H44O2(7R;8S;9S;10R;13R;14S;17R)-7-hydroxy-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1;2;6;7;8;9;11;12;14;15;16;17-dodecahydrocyclopenta[a]phenanthren-3-oneCC(C)CCCC(C)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)CNANANANA
20201NA(3a;5b;7a;12a)-24-[(carboxymethyl)amino]-1;12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic ab-D-GlucopyranosIduronic acid; (3a;5b;7a;12a)-24-[(carboxymethyl)amino]-1;12-dihydroxy-24-oxocholan-3-yl is found in the urine of leprosy patients. It is red in color similar to clofazimine. It is considered more polar than the parent drug. It is formed by hydrolytic deamination followed by glucuroGlycocholic acid 3-glucuronide641.75C32H51NO12(3a;5b;7a;12a)-24-[(carboxymethyl)amino]-1;12-dihydroxy-24-oxocholan-3-yl b-D-glucopyranosiduronic acidCC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(CCC4(C)C3CC(O)C12C)OC1OC(C(O)C(O)C1O)C(O)=ONANANANA
202026455391Taurochenodeoxycholate-7-sulfateaffects bile flow and biliary lipids; RN refers to di-Na salt; structure given in first sourceTcdc-7-S Taurochenodeoxycholate-7-sulfate Ethanesulfonic acid; 2-(((3alpha;5beta;7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)am ino)-; disodium salt623.73C26H45NO9S2disodium2-[[(4R)-4-[(3R;5S;7R;10S;13R;17R)-3-hydroxy-10;13-dimethyl-7-sulfonatooxy-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonateCC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]NANANANA
20206161671Withanolide DstructureWithanolide D 5;6-Epoxy-4;20;22-trihydroxy-1-oxoergosta-2;24-dien-26-oic acid delta-lactone (4beta;5beta;6beta;22R)-5;6-Epoxy-4;20;22-trihydroxy-1-oxoergosta- 2;24-dien-26-oic acid; delta-lactone470.6C28H38O6NACC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)CNANANANA
2020891498Cholestane-3;5;6-triolstructure; RN given refers to cpd without isomeric designation5alpha;6beta-Dihydroxycholestanol 3beta;5alpha;6beta-Cholestanetriol Cholesta-3beta;5alpha;6beta-triol 5-alpha;6-beta-Dihydroxycholestanol 3beta;5alpha;6beta-Trihydroxycholestane420.67C27H48O3(3S;5R;6R;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1;2;3;4;6;7;8;9;11;12;14;15;16;17-tetradecahydrocyclopenta[a]phenanthrene-3;5;6-triolCC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)CNANANANA
202106509425-hydroxycholesterolstructure; RN given refers to cpd without isomeric designation25-Hydroxycholesterol 5-Cholestene-3beta;25-diol Cholest-5-ene-3beta;25-diol cholest-5-en-3beta;25-diol 25-Hydroxycholest-5-en-3-ol402.65C27H46O2(3S;8S;9S;10R;13R;14S;17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C1ZHXNANANA
20213440985Cholest-5-ene-3;7;27-triolNANA418.65C27H46O3(3S;7S;8S;9S;10R;13R;14S;17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthrene-3;7-diolCC(CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)CONANANANA
202256743Stigmastanolsaturated analog of beta-sitosterol; RN given refers to (3beta;5alpha)-isomerFucostanol Spinastanol Dihydrositosterin sitostanol stigmastanol STIGMASTANOL stigmastanol beta-Sitostanol Dihydrositosterol 24alpha-Ethylcholestanol Stigmastane-3-beta-ol beta-Sitosterol; dihy416.72C29H52O17-(5-ethyl-6-methylheptan-2-yl)-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olCCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)CNA9.73NANA
202293034759Tauroursodeoxycholic acidRN given refers to (3alpha;5beta;7beta)-isomerUrsodeoxycholyltaurine Tauroursodeoxycholic acid TUDCA Tauroursodeoxycholic acid (6CI;7CI) tauroursodeoxycholic acid; (3alpha;5alpha;7alpha)-isomer499.7C26H45NO6S2-[[(4R)-4-[(3R;5S;7S;10S;13R;17R)-3;7-dihydroxy-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CNANANANA
2023264383681;25-dihydroxyvitamin D3-26;23-lactoneNA1;25-Lactone Calcitriol-26;23-lactone 1;25-dihydroxyvitaminD3-26;23-lactone 1;25-Dihydroxycholecalciferol-26-23-lactone 1alpha;25-Dihydroxyvitamin D3-26;23-lactone 23(S);25(R)-1;25(OH)2D3-26;23-Lact444.6C27H40O5(3R;5S)-5-[(2R)-2-[(1R;3aS;4E;7aR)-4-[(2Z)-2-[(3S;5R)-3;5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-oneCC(CC1CC(C(=O)O1)(C)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)CNANANAQ9PTN2; Q1L673; Q28037; O42392; P49701; P11473; P48281; A3RGC1; P13053; Q95MH5; O13124; Q90WN9; Q90WS4
20234140TetrahydroxynorbufostaneNATetrahydroxynorbufostane 5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL 5-beta-cholestane-3-alpha;7-alpha;12-alpha;26-tetraol436.67C27H48O417-(7-hydroxy-6-methylheptan-2-yl)-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)CONANANANA
20235246983LanosterolA triterpene that derives from the chair-boat-chair-boat folding of 2;3-oxidosqualene. It is metabolized to CHOLESTEROL and CUCURBITACINS.Lanosterol Lanosterin Lanster Botalan base 138 Lanosta-8;24-dienol Lanosta-8;24-dien-3beta-ol 8;24-Lanostadien-3beta-ol426.72C30H50O(3S;5R;10S;13R;14R;17R)-4;4;10;13;14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2;3;5;6;7;11;12;15;16;17-decahydro-1H-cyclopenta[a]phenanthren-3-olCC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)CNANANANA
20236536480325;26-dihydroxycholecalciferolRN given refers to (3beta;5A;7E)-isomer25;26-Dihydroxyvitamin D3 25;26-dihydroxycholecalciferol 9;10-Secocholesta-5;7;10(19)-triene-3.beta.;25;26-triol 9;10-Secocholesta-5;7;10(19)-triene-3;25;26-triol; (3beta;5Z;7E)- 9;10-Secocholesta-416.64C27H44O36-[(4E)-4-[(2E)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-1-yl]-2-methylheptane-1;2-diolCC(CCCC(C)(CO)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CNANANANA
202371605203;7;12-trihydroxycoprostaneintermediate in bile acid synthesis in liver; enhances rate of porphyrin synthesis in cultured liver cells by induction of delta-aminolevulinic acid synthetase; RN given refers to (3alpha;5beta;7alpha;12alpha)-isomer; structureTrihydroxycoprostane 3;7;12-Trihydroxycoprostane 5beta-Cholestane-3alpha;7alpha;12alpha-triol 3alpha;7alpha;12alpha-Trihydroxycoprostane 3alpha;7alpha;12alpha-Trihydroxy-5beta-cholestane420.67C27H48O3(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(C)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
2024019630227-norcholestane-3;7;12;24;25;26-hexolNA27-Norcholestane-3;7;12;24;25;26-hexol 27-Nor-5beta-cholestane-3alpha;7alpha;12alpha;24alpha;24xi;25xi;26 -hexol 27-Norcholestane-3;7;12;24;25;26-hexol; N-(N2-(1-(N-(N-(N-(N-(N-(N2-(N-glycyl-L-alph454.64C26H46O6(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-10;13-dimethyl-17-[(2R)-5;6;7-trihydroxyheptan-2-yl]-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CCC(C(CO)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
2024152841945 beta-bufolisolated from gall bladder of toad; identified in patients with cerebrotendinous xanthomatosis5beta-Bufol Cholestane-3;7;12;25;26-pentol 5 beta-bufol Cholestane-3;7;12;25;26-pentol; (3alpha;5beta;7alpha;12alpha)- (VAN) 5 beta-bufol452.67C27H48O5(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-17-[(2R)-6;7-dihydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CCCC(C)(CO)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
202426453659Cholestane-3;7;12;24;25-pentolNACholestane-3;7;12;24;25-pentol 5-beta-Cholestane-3alpha;7alpha;12alpha;24beta;25-pentol Cholestan-3;7;12;24;25-pentol; (3alpha;5beta;7alpha;12alpha;24S)- cholestane-3;7;12;24;25-pentol452.67C27H48O5(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-17-[(2R;5S)-5;6-dihydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triolCC(CCC(C(C)(C)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANANA
202435281326Fucosterolmajor sterol of a marine sponge C. difussa; structure; RN given refers to (3beta;24E)-isomerFucosterol Isofucosterol delta5-Avenasterol Stigmasta-5;24(28)-dien-3-ol; (3.beta.;24Z)-412.69C29H48O(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(Z;2R)-5-propan-2-ylhept-5-en-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CNANANANA
20244NA(3a;5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid(3a;5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid is a natural human metabolite of Taurolithocholic acid generated in the liver by UDP glucuonyltransferase.Glucuronidation is used to assist in the excretion of toxic substances; drugs or other substances that cannot be (3a;5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronate#Taurolithocholic acid 3-glucuronide#(3a;5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-beta-delta-Glucopyranosiduronate659.83C32H53NO11S(3a;5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl b-D-glucopyranosiduronic acidCC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=ONANANANA
202474394793;7;12-trihydroxycholestan-26-alstructure in first source3;7;12-Trihydroxycholestan-26-al 3alpha;7alpha;12alpha-Trihydroxy-5beta-cholestan-26-al (3alpha;5beta;7alpha;12alpha)-3;7;12-trihydroxycholestan-26-al Cholestan-26-al; 3;7;12-trihydroxy-; (3alpha;434.65C27H46O4(6R)-2-methyl-6-[(3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-3;7;12-trihydroxy-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanalCC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)C=ONANANANA
2025554580Fluticasoneused in nasal spray for seasonal allergic rhinitisatemur fluticasone Cultivate Cutivate Flixonase Flixotide Flusonal Fluspiral Flutivate Inalacor500.57C25H31F3O5S[(6S;9R;10S;11S;13S;14S;16R;17R)-6;9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10;13;16-trimethyl-3-oxo-6;7;8;11;12;14;15;16-octahydrocyclopenta[a]phenanthren-17-yl] propanoateCCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCFNANANAP79686; Q6XLJ0; P49115; P04150; P06537; P49843; O73673; Q9N1U3; Q5R9P5; P59667; P06536; P79269; O13186; O46567; P35547; Q95267; P49844; Q3MSN1; Q3MSN4
2026495472531-a;24R;25-Trihydroxyvitamin D2NA(24R)-1alpha;24;25-trihydroxyvitamin D2 (24R)-1alpha;24;25-trihydroxyergocalciferol (5Z;7E;22E)-(1S;3R;24R)-9;10-seco-5;7;10(19);22-ergostatetraene-1; 3;24;25-tetrol444.65C28H44O4(1R;3S;5Z)-5-[(2E)-2-[(1R;3aS;7aR)-1-[(E;2R;5R)-5;6-dihydroxy-5;6-dimethylhept-3-en-2-yl]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1;3-diolCC(C=CC(C)(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CNANANANA
202656446280CalcitetrolNAcalcitetrol (24R)-24-Hydroxycalcitriol 1alpha;24R;25(OH)3D3 1alpha;24R;25-trihydroxyvitamin D3 1-alpha;24(R);25-Trihydroxyvitamin D3 1alpha;24R;25-trihydroxycholecalciferol (1-alpha;3-beta;5Z;7E432.64C27H44O4(1R;3S;5Z)-5-[(2E)-2-[(1R;3aS;7aR)-1-[(2R;5R)-5;6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1;3-diolCC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CNANANANA
20267NA7-a;25-Dihydroxycholesterol7 alpha-hydroxylation is not directly involved; positively or negatively; in the action of 25- or 27-hydroxycholesterol as suppressors of HMG-CoA reductase activity. Human diploid fibroblasts (HDF) and the human melanoma cell line SK-MEL-2 converted 25-hydroxycholesterol into 7 alpha;25-dihydroxycho7alpha;25-Dihydroxycholesterol#Cholest-5-ene-3beta;7alpha;25-triol#7-alpha;25-Dihydroxycholesterol#Cholest-5-ene-3-beta;7-alpha;25-triol#Cholest-5-ene-3-b;7-a;25-triol#Cholest-5-ene-3b;7a;25-triol#7-a418.65C27H46O3cholest-5-ene-3beta;7alpha;25-triolCC(CCCC(C)(C)O)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12CNANANANA
2027163688265;6-trans-25-Hydroxyvitamin D3NA5;6-trans-25-Hydroxyvitamin D3 25-Hydroxy-5;6-trans-vitamin D3 5;6-trans-25-Hydroxycholecalciferol 25-Hydroxy-5;6-trans-cholecalciferol (3beta;5E;7E)-9;10-Secocholesta-5;7;10(19)-triene-3;25-diol 400.64C27H44O2(3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-olCC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CNANANANA
20272NA25-Hydroxytachysterol325-Hydroxytachysterol3 is a hydroxylated derivative of tachysterol3. 25-hydroxytachysterol is converted to 25-hydroxyprevitamin D3; which is then converted to the hydroxyvitamin D3 through a thermally induced rearrangement. It is now established that; during exposure to sunlight; the cutaneous reser9;10-Secocholesta-5(10);6;8-triene-3;25-diol#25-Hydroxytachysterol3#25-Hydroxytachysterol400.64C27H44O2NACC(CCCC(C)(C)O)C1CCC2C(=CCCC12C)C=CC1=C(C)CCCC1ONANANANA
202731606133820:2 Cholesteryl esterNA20:2 Cholesteryl ester cholest-5-en-3beta-yl (11Z;14Z-eicosadienoate)677.14C47H80O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](11Z;14Z)-icosa-11;14-dienoateCCCCCC=CCC=CCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
202741606134022:2 Cholesteryl esterNA22:2 Cholesteryl ester cholest-5-en-3beta-yl (13Z;16Z-docosadienoate)705.19C49H84O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](13Z;16Z)-docosa-13;16-dienoateCCCCCC=CCC=CCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
20278643425324;25-Dihydroxyvitamin D3A physiologically active metabolite of VITAMIN D. The compound is involved in the regulation of calcium metabolism; alkaline phosphatase activity; and enhances the calcemic effect of CALCITRIOL.24;25-Dihydroxyvitamin D 24;25-dihydroxyvitamin D3 24;25-Dihydroxycholecalciferol (3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-3;24;25-triol416.64C27H44O3(6R)-6-[(1R;3aS;4E;7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-1-yl]-2-methylheptane-2;3-diolCC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CNANANANA
20279535378Methyl-3;7-diketo-5.alpha.-cholanoateNAMethyl-3;7-diketo-5.alpha.-cholanoate Methyl 5-.beta.-cholan-3;7-dione-24-oate 5.alpha.-Cholan-24-oic acid; 3;7-dioxo-; methyl ester402.57C25H38O4methyl4-(10;13-dimethyl-3;7-dioxo-2;4;5;6;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoateCC(CCC(=O)OC)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(=O)C4)C)CNANANANA
20280227041Cholesteryl linoleateRN given refers to (Z;Z)-isomerCholesterol linolate Cholesterol; linoleate Cholest-5-en-3-ol (3.beta.)-; 9;12-octadecadienoate; (Z;Z)-649.08C45H76O2[10;13-dimethyl-17-(6-methylheptan-2-yl)-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]octadeca-9;12-dienoateCCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
2028179062Cholesteryl palmitateNACholesterol palmitate Cholesteryl hexadecanoate Cholesterol; palmitate (8CI) Cholest-5-ene-3-beta-yl palmitate Hexadecanoic acid; cholesteryl ester Cholest-5-en-3-ol (3beta)-; hexadecanoate625.06C43H76O2[(9S;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]hexadecanoateCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
20283168408Tauromuricholic acidRN given refers to (3 alpha;5 beta;6 beta;7 beta)-isomerNA515.7C26H45NO7S2-[[(4R)-4-[(3R;5R;6S;7R;10R;13R;17R)-3;6;7-trihydroxy-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)CNANANANA
2028664378551;25-dihydroxyergocalciferolRN given refers to (3beta;5Z;7E;22E)-isomer1;25-Dihydroxyvitamin D2 1;25-Dihydroxyergocalciferol 1alpha;25-Dihydroxyvitamin D2 1;25-(OH)2D2 9;10-Segoergosta-5;7;10(19);22-tetraene-1;3;25-triol; (3beta;5Z;7E;22E)-428.65C28H44O3(1R;5Z)-5-[(2E)-2-[(1R;3aS;7aR)-1-[(E;2R;5S)-6-hydroxy-5;6-dimethylhept-3-en-2-yl]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1;3-diolCC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CNANANANA
20287643887123;25-dihydroxyvitamin D3metabolite of vitamin D3 in chickens and rats; RN given refers to (3beta;5Z;7E)-isomer23S;25-Dihydroxyvitamin D 23;25-Dihydroxyvitamin D3 23;25-Dihydroxycholecalciferol 9;10-Secocholesta-5;7;10(19)-triene-3;23;25-triol; (3beta;5Z;7E)-416.64C27H44O3(6R)-6-[(1R;3aS;4E;7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-1-yl]-2-methylheptane-2;4-diolCC(CC(CC(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CNANANANA
202886479222Cholesteryl arachidonateRN given refers to (3beta)-isomerCholesteryl arachidonate 20:4 Cholesteryl ester cholest-5-en-3beta-yl (5Z;8Z;11Z;14Z-eicosatetraenoate) Cholest-5-en-3-ol (3beta)-; 5;8;11;14-eicosatetraenoate; (all-Z)-673.11C47H76O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](5Z;8Z;11Z;14Z)-icosa-5;8;11;14-tetraenoateCCCCCC=CCC=CCC=CCC=CCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
202891606134224:1 Cholesteryl esterNA24:1 Cholesteryl ester cholest-5-en-3beta-yl (15Z-tetracosenoate)735.26C51H90O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-tetracos-5-enoateCCCCCCCCCCCCCCCCCCC=CCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
202901606134122:4 Cholesteryl esterNA22:4 Cholesteryl ester cholest-5-en-3beta-yl (7Z;10Z;13Z;16Z-docosatetraenoate)701.16C49H80O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](7Z;10Z;13Z;16Z)-docosa-7;10;13;16-tetraenoateCCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
202911606133720:1 Cholesteryl esterNA20:1 Cholesteryl ester cholest-5-en-3beta-yl (11Z-eicosenoate)679.15C47H82O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-icos-11-enoateCCCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
202921427497822:6 Cholesteryl esterNA22:6 Cholesteryl ester cholest-5-en-3beta-yl (4Z;7Z;10Z;13Z;16Z;19Z-docosahexaenoate)697.13C49H76O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](4Z;7Z;10Z;13Z;16Z;19Z)-docosa-4;7;10;13;16;19-hexaenoateCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
202931427497620:3 Cholesteryl esterNA20:3 Cholesteryl ester cholest-5-en-3beta-yl (8Z;11Z;14Z-eicosatrienoate)675.12C47H78O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](8Z;11Z;14Z)-icosa-8;11;14-trienoateCCCCCC=CCC=CCC=CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
20294528363119:0 Cholesteryl esterNA19:0 Cholesteryl ester cholest-5-en-3beta-yl nonadecanoate667.14C46H82O2[(3S;8S;9S;10R;13R;14S)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonadecanoateCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
20295440567Taurocholic AcidThe product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.Cholyltaurine Taurocholic Acid Taurocholate515.7C26H45NO7S2-[4-[(3R;5S;7R;12S)-3;7;12-trihydroxy-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CNANANAQ3SZL0; Q96RI1; Q60641; Q62735; Q811W9; Q811X0; Q811X1; Q811X2; Q8JHU2
202976449983Cholesteryl 9-hexadecenoateRN given refers to (Z)-isomerCholesteryl 9-palmitoleate cholesteryl 9-hexadecenoate Cholesteryl 9-hexadecenoate Cholesteryl 9-palmitelaidate Cholesteryl cis-9-hexadecenoate Cholest-5-en-3-ol (3beta)-; 9-hexadecenoate; (Z)-623.05C43H74O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-hexadec-9-enoateCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
20298439763Taurolithocholic AcidA bile salt formed in the liver from lithocholic acid conjugation with taurine; usually as the sodium salt. It solubilizes fats for absorption and is itself absorbed. It is a cholagogue and choleretic.Taurolithocholate Taurolithocholic Acid Lithocholyltaurine N-(3alpha-hydroxy-5beta-cholan-24-oyl)-taurine 2-ethanesulfonic acid483.7C26H45NO5S2-[[(4R)-4-[(3R;5R;8R;9S;10S;13R;14S;17R)-3-hydroxy-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acidCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)CNANANAQ3SZL0; Q96RI1; Q60641; Q62735; Q811W9; Q811X0; Q811X1; Q811X2; Q8JHU2
202996744AzuprostatNAAzuprostat Nimbosterol Quebrachol Triastonal Angelicin Cinchol Cupreol Rhamnol Sobatum beta-Sitosterin414.71C29H50O(3S;8S;9S;10R;13R;14S;17R)-17-[(2S;5S)-5-ethyl-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CNA9.65NANA
203005280794StigmasterolNAStigmasterin Stigmasterol sterol Phytosterol beta-Stigmasterol D5-Stigmasterol Delta5-Stigmasterol .beta.-Stigmasterol Stigmasta-5;22-dien-3-ol412.69C29H48O(3S;8S;9S;10R;13R;14S;17R)-17-[(E;2R;5S)-5-ethyl-6-methylhept-3-en-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CNA9.43NAQ5BIS6; P55055; Q60644; Q62755; Q5E9B6; Q13133; Q9Z0Y9; Q62685; Q8AXU8; Q8JHU1
203012723897Cholesterol acetateNACholesteryl acetate 3beta-Acetoxy-5-cholestene 5-Cholesten-3beta-ol 3-acetate 3beta-Hydroxy-5-cholestene 3-acetate428.69C29H48O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateCC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)CNANANANA
20304NACholesteryl 1-vaccenoateCE(18:1(11Z)) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and focholesterol 1-(11Z-octadecenoate)#cholesterol 1-(11Z-octadecenoic acid)#cholesteryl 1-(11Z-octadecenoic acid)#CE(18:1n7/0:0)#1-vaccenoyl-cholesterol#18:1(11Z) Cholesterol ester#cholesterol 1-vaccenoic651.1C45H78O21-(11Z-octadecenoyl)-cholesterolCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)CNANANANA
20305NACholesterol 1-eicosenoateCE(20:1(11Z)) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and foCholesterol Ester(20:1/0:0)#Cholesterol Ester(20:1n9/0:0)#1-eicosenoyl-cholesterol#cholesteryl 1-(11-eicosenoate)#cholesteryl 1-eicosenoate#CE(20:1w9/0:0)#Cholesterol Ester(20:1)#cholesteryl 1-(11-eic679.15C47H82O21-(11-eicosenoyl)-cholesterolCCCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)CNANANANA
20306NACholesterol 1-arachidonoic acidCE(20:4(5Z;8Z;11Z;14Z)) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in placholesterol 1-(5Z;8Z;11Z;14Z-eicosatetraenoate)#cholesterol 1-(5Z;8Z;11Z;14Z-eicosatetraenoic acid)#CE(20:4n6/0:0)#Cholesterol Ester(20:4w6/0:0)#cholesteryl 1-arachidonoate#CE(20:4w6/0:0)#cholesteryl 673.11C47H76O21-(5Z;8Z;11Z;14Z-eicosatetraenoyl)-cholesterolCCCCCC=CCC=CCC=CCC=CCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)CNANANANA
2030899486Cholesteryl myristateNACholestryl myristate Cholesteryl tetradecanoate 14:0 Cholesteryl ester Cholesterol; myristate (8CI) Cholest-5-en-3beta-yl myristate cholest-5-en-3beta-yl tetradecanoate597.01C41H72O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] tetradecanoateCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
2030916061339Cholesteryl behenateNACholesteryl behenate Cholesteryl docosanoate 22:0 Cholesteryl ester cholest-5-en-3beta-yl docosanoate 5-Cholesten-3beta-ol 3-docosanoate 3beta-Hydroxy-5-cholestene 3-docosanoate709.22C49H88O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosanoateCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
203101037229920:5 Cholesteryl esterNA20:5 Cholesteryl ester cholest-5-en-3beta-yl (5Z;8Z;11Z;14Z;17Z-eicosapentaenoate)671.09C47H74O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](5Z;8Z;11Z;14Z;17Z)-icosa-5;8;11;14;17-pentaenoateCCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
203111606133620:0 Cholesteryl esterNA20:0 Cholesteryl ester cholest-5-en-3beta-yl eicosanoate681.17C47H84O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] icosanoateCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
20313914747-ketocholesterolinhibits uptake of cholesterol in rabbit aorta7-Ketocholesterol 7-Oxocholesterol Cholesterol; 7-oxo- 5-Cholesten-3beta-ol-7-one 5-cholesten-3 beta-ol-7-one 3beta-Hydroxycholest-5-en-7-one 3beta-hydroxy-5-cholestene-7-one400.64C27H44O2(3S;8S;9S;10R;13R;14S;17R)-3-hydroxy-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1;2;3;4;8;9;11;12;14;15;16;17-dodecahydrocyclopenta[a]phenanthren-7-oneCC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)CNANANANA
203145283632Cholesteryl oleateRN given refers to ((Z)-isomer)Cholesteryl oleate Oleoylcholesterol Cholesteryl oleic ester Cholesteryl cis-9-octadecenoate Cholesterol 3beta-oleate Oleic acid cholesteryl ester 18:1 Cholesteryl ester Cholest-5-en-3-beta-yl o651.1C45H78O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoateCCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C2OBDNANANA
2031530322DigoxinA cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. Digoxin Cardiogoxin Coragoxine Lanacordin Lanoxicaps Lenoxicaps Neodioxanin Acygoxin Cardigox Cardioxin780.94C41H64O144-[(3S;5R;8R;9S;10S;12R;13S;14S)-3-[(2R;4S;5S;6R)-5-[(2S;4S;5S;6R)-5-[(2S;4S;5S;6R)-4;5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12;14-dihydroxy-10;13-dimethyl-1;2;3;4;5;6;7;8;9;11;12;15;16;17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-oneCC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)ONA1.26NANA
2031799470Cholest-5-ene-3 beta;26-diolisolated from human brain26-Hydroxycholesterol 27-hydroxycholesterol Cholest-5-ene-3beta;26-diol Cholest-5-ene-3beta;27-diol402.65C27H46O2(3S;8S;9S;10R;13R;14S;17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCC(CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)CONANANANA
203199416Testosterone enanthatean androgen administered to treat micropenisDelatestryl testosterone enanthate Andropository Androtardyl Testanthate Testostroval Durathate Testoenant Atlatest Testinon400.59C26H40O3[(8R;9S;10R;13S;14S;17S)-10;13-dimethyl-3-oxo-1;2;6;7;8;9;11;12;14;15;16;17-dodecahydrocyclopenta[a]phenanthren-17-yl]heptanoateCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)CNA6.73NAQ9TT90; Q8MIK0; O97776; P10275; O97952; Q6QT55; P19091; O97775; O97960; Q9GKL7; P49699; Q7T1K4; P15207
2032012194824-HydroxycholesterolNACerebrosterol 24-hydroxycholesterol 24S-hydroxy-cholesterol Cholest-5-ene-3;24-diol 24-hydroxycholesterol 24(S)-hydroxycholesterol (24S)-24-Hydroxycholesterol cholest-5-en-3beta;24S-diol402.65C27H46O2(3S;8S;9S;10R;13R;14S;17R)-17-[(2R;5S)-5-hydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)ONANANANA
2032214985Alpha-TocopherolA generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus; these compounds exhibit varying degree of antioxidant activity; depending on the site and number of methyl groups and the typealpha-Tocopherol Vitamin E Ephanyl Phytogermine Waynecomycin Viteolin Eprolin Vitaped Esorb Aquasol E430.71C29H50O2(2R)-2;5;7;8-tetramethyl-2-[(4R;8R)-4;8;12-trimethyltridecyl]chroman-6-olCC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O1R5L;1OIPNANANA
20324102182Cholesteryl laurateNACholesteryl laurate Cholesteryl dodecanoate Cholesterol laurate Cholesterol; laurate 12:0 Cholesteryl ester Cholesterol; laurate (8CI) Dodecanoic acid; cholesteryl ester Cholest-5-en-3-beta-yl 568.96C39H68O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoateCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
20326312822CampesterolRN refers to (3beta;24R)-isomer; structureCampesterin Campestrol Ergost-5-en-3.beta.-ol 24.alpha.-Methylcholesterol (24S)-beta-Methyl cholesterol 24-Methylcholest-5-en-3beta-ol (24R)-5-Ergosten-3.beta.-ol 5-Cholestene-3-ol; 24-methyl- 400.68C28H48O17-(5;6-dimethylheptan-2-yl)-10;13-dimethyl-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CNANANANA
20327111329Cholesteryl valerateNACholesteryl valerate Cholesteryl pentanoate Cholest-5-en-3beta-yl valerate Cholest-5-en-3-ol (3beta); pentanoate470.77C32H54O2[(3S;8S;9S;10R;13R;14S;17R)-10;13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentanoateCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
203284225619Cholesteryl decanoateNACholesteryl caprate Cholesteryl decanoate Cholesteryl n-decanoate 5-Cholesten-3beta-ol 3-decanoate540.9C37H64O2[10;13-dimethyl-17-(6-methylheptan-2-yl)-2;3;4;7;8;9;11;12;14;15;16;17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] decanoateCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CNANANANA
203495280493Leukotriene C4The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. leukotriene C4 Leukotriene C4 LTC4 LTC (sub 4) 5S;6R-Ltc(sub 4)625.77C30H47N3O9S(5S;6R;7E;9E;11Z;14Z)-6-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7;9;11;14-tetraenoic acidCCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NNANANAQ9NS75; Q9Y271
203505280878Leukotriene D4One of the biologically active principles of SRS-A. It is generated from LEUKOTRIENE C4 after partial hydrolysis of the peptide chain; i.e.; cleavage of the gamma-glutamyl portion. Its biological actions include stimulation of vascular and nonvascular smooth muscle; and increases in vascular perleukotriene D4 Leukotriene D4 LTD4 5S-hydroxy-6R-(S-cysteinylglycinyl)-7E;9E;11E;14Z-eicosatetraenoi (R-(R*;S*-(E;E;Z;Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2;4;6;9- pentadecatetraenyl)-L-cysteiny496.66C25H40N2O6S(5S;6R;7E;9E;11Z;14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7;9;11;14-tetraenoicacidCCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NNANANAQ9NS75; Q9Y271
203515280879Leukotriene E4A biologically active principle of SRS-A that is formed from LEUKOTRIENE D4 via a peptidase reaction that removes the glycine residue. The biological actions of LTE4 are similar to LTC4 and LTD4. (From Dictionary of Prostaglandins and Related Compounds; 1990)leukotriene E4 Leukotriene E4 LTE4 5S-hydroxy;6R-(S-cysteinyl);7E;9E;11Z;14Z-eicosatetraenoic acid (7E;9E;11Z;14Z)-(5S;6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7;9;11;1 4-tetraenoate439.61C23H37NO5S(5S;6R;7E;9E;11Z;14Z)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxyicosa-7;9;11;14-tetraenoic acidCCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)NNANANAQ9NS75; Q9Y271
203635280453CalcitriolNAcalcitriol Rocaltrol Calcijex Topitriol Soltriol Asentar Silkis vit D Dihydroxyvitamin D3416.64C27H44O3(1R;3S;5Z)-5-[(2E)-2-[(1R;3aS;7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2;3;3a;5;6;7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1;3-diolCC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CNANANAQ9PTN2; Q1L673; Q28037; O42392; P49701; P11473; P48281; A3RGC1; P13053; Q95MH5; O13124
203696675Taurocholic acidTaurocholic acid is a bile acid and is the product of the conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. Bile acids are steroid acids found predominantly in the bile of mammals. 3alpha;7alpha;12alpha-Trihydroxy-5beta-cholanic acid 24-taurine;Cholic acid taurine conjugate;Choloyl-taurine;Cholyltaurine;N-Choloyltaurine;Taurocholate;3a;7a;12a-Trihydroxy-5b-cholanate 24-taurine;3515.703C26H45NO7S2-[(4R)-4-[(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-5;9;16-trihydroxy-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=ONA125NANA
20378NAThyroxineThyroxine (3;5;3′;5′-tetraiodothyronine) or T4 is one of two major hormones derived from the thyroid gland; the other being triiodothyronine (T3). The major form of thyroid hormone in the blood is thyroxine (T4); which has a longer half-life than T3.3;3';5;5'-Tetraiodo-L-thyronine;3;5;3';5'-TETRAIODO-L-thyronine;4-(4-Hydroxy-3;5-diiodophenoxy)-3;5-diiodo-L-phenylalanine;L-T4;Levothyroxin;Levothyroxine;LT4;O-(4-Hydroxy-3;5-diiodophenyl)-3;5-diiodo776.87C15H11I4NO4(2S)-2-amino-3-[4-(4-hydroxy-3;5-diiodophenoxy)-3;5-diiodophenyl]propanoic acidN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=ONA235.5NANA
2039915297117-Hydroxypregnenolone sulfate17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA); itself a prohormone of the s17-Hydroxypregnenolone sulfuric acid;17-Hydroxypregnenolone sulphate;17-Hydroxypregnenolone sulphuric acid;17-Hydroxy-pregnenolone sulfate;17-Hydroxy-pregnenolone sulphate;17-Hydroxypregnenolone 3-sul412.54C21H32O6S[(1S;2R;10R;11S;14R;15S)-14-acetyl-14-hydroxy-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=ONANANANA
204021289504324;25-Dihydroxyvitamin D24;25-Dihydroxyvitamin D (24R;25(OH)2D3) circulates in blood at concentrations about 1000 times higher than 1alpha;25(OH)2D3. 24-Hydroxylase is present in the proximal convoluted tubule cells of the kidney and in virtual all target cells of 1alpha;25(OH)2D3. (3b;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-3;24;25-triol;24;25-Dihydroxycholecalciferol;24;25-Dihydroxyvitamin;24;25-Dihydroxyvitamin D3;24-Hydroxycalcidiol;Vitamin D;24;25 Dihydroxyvitamin D3;(24416.6365C27H44O3(6R)-6-[(1R;3aS;4E;7aR)-4-{2-[(1Z;5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2;3-diolC[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@H](O)CCC1=CNANANANA
20406534776955b-Cholestane-3a;7a;12a;23S;25-pentol5b-Cholestane-3a;7a;12a;23S;25-pentol belongs to the class of organic compounds known as pentahydroxy bile acids; alcohols and derivatives. These are bile acids; alcohols or derivatives bearing five hydroxyl groups. (23S)-5b-Cholestane-3a;7a;12a;23;25-pentol;(3alpha;5beta;7alpha;12alpha;23S)-Cholestane-3;7;12;23;25-pentol;(23S)-5b-Cholestane-3a;7a;12a;23;25-pentol;(3alpha;5beta;7alpha;12alpha;23S)-Cholestane-3;7;452.667C27H48O5(1S;2S;5R;7S;9R;10R;15R;16S)-14-[(2S;4S)-4;6-dihydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecane-5;9;16-triol[H]C1CC([C@@H](C)C[C@H](O)CC(C)(C)O)[C@]2(C)C1[C@]1([H])[C@H](O)C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H]2ONANANANA
20409534776967-Ketocholesterol7-Ketocholesterol is a major oxidation product of cholesterol (oxysterol) found in human atherosclerotic plaque and is more atherogenic than cholesterol in some animal studies. Oxysterols (oxygenated forms of cholesterol) are present at low levels in the circulation and accumulate is plasma and tiss3b-Hydroxycholest-5-en-7-one;7-Oxocholesterol;Cholest-5-en-3b-ol-7-one;Delta5-Cholesten-3b-ol-7-one;3beta-Hydroxy-5-cholestene-7-one;5-Cholesten-3 beta-ol-7-one;3b-Hydroxycholest-5-en-7-one;7-Oxochole400.6371C27H44O2(1S;2R;10S;11S;15R)-5-hydroxy-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-9-one[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C=C2CC(O)CC[C@]12CNA168NANA
204111677585beta-Cholestane-3alpha;7alpha;12alpha;25-tetrol5β-Cholestane-3α;7α;12α;25-tetrol is an intermediate in the bile acid synthetic pathway; and is secreted into the bile and urine following glucuronidation. It does not undergo enterohepatic circulation. 5b-Cholestane-3a;7a;12a;25-tetrol;5Β-cholestane-3α;7α;12α;25-tetrol;5 beta Cholestane-3 alpha;7 alpha;12 alpha;25-tetrol;5 beta-Cholestane-3 beta;7 alpha;12 alpha;25-tetrol;Cholestane-3;7;12;25-tetrol436.677C27H48O4(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecane-5;9;16-triol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(C)ONANANANA
20413228335317b-Hydroxy-3-oxo-5b-cholanoic acid7b-Hydroxy-3-oxo-5b-cholanoic acid was one of the bile acids present in significant proportions during early gestation; identified in amniotic fluid.7b-Hydroxy-3-oxo-5b-cholanoate;(5b;7b)-7-Hydroxy-3-oxo-cholan-24-Oate;(5b;7b)-7-Hydroxy-3-oxo-cholan-24-Oic acid;7b-Hydroxy-3-oxo-5b-cholan-24-Oate;7b-Hydroxy-3-oxo-5b-cholan-24-Oic acid;Methyl (4R)-4402.5668C25H38O4methyl (4R)-4-[(1S;2S;10R;11S;14R;15R)-2;15-dimethyl-5;9-dioxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecan-14-yl]pentanoate[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)CC2CC(=O)CC[C@]12CNA171NANA
20417212522535b-Cholestane-3a;7a;12a;24;25-pentol5b-Cholestane-3a;7a;12a;24;25-pentol; also known as 3a;7a;12a;24;25-pentahydroxycoprostane; belongs to the class of organic compounds known as pentahydroxy bile acids; alcohols and derivatives. These are bile acids; alcohols or derivatives bearing five hydroxyl groups.3a;7a;12a;24;25-Pentahydroxycoprostane;3alpha;7alpha;12alpha;24R;25-Pentahydroxy-5beta-cholestane;5beta-Cholestane-3alpha;7alpha;12alpha;24R;25-pentol;5b-Cholestane-3a;7a;12a;24R;25-pentol;5Β-cholesta452.667C27H48O5(1S;2S;5R;9R;10R;11S;14R;15R;16S)-14-[(2R)-5;6-dihydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecane-5;9;16-triol[H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12CNANANANA
20418212522545a-Cholestane-3a;7a;12a;23;25-pentol5a-Cholestane-3a;7a;12a;23;25-pentol belongs to the class of organic compounds known as pentahydroxy bile acids; alcohols and derivatives. These are bile acids; alcohols or derivatives bearing five hydroxyl groups. Based on a literature review very few articles have been published on 5a-Cholestane-3(3a;5a;7a;12a;23S)-Cholestane-3;7;12;23;25-pentol;(3a;5a;7a;12a;23S)-Cholestane-3;7;12;23;25-pentol;452.667C27H48O5(1S;2S;5R;7R;9R;10R;11S;14R;15R;16S)-14-[(2S)-4;6-dihydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecane-5;9;16-triol[H][C@@]12CC[C@H]([C@@H](C)CC(O)CC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12CNANANANA
204211236753;5-Diiodothyronine3;5-Diiodothyronine; also known as 3;5-T2; belongs to the class of organic compounds known as phenylalanines and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group35-Diiodothyronine;(3;5-Diiodo-4-(-p-hydroxyphenoxy)phenyl)-alanine;3';5'-Diiodothyronine;3;5-Diiodo-D-thyronine;3;5-Diiodo-DL-thryronine;3;5-Diiodo-DL-thyronine;3;5-Diiodo-L-thyronine;3;5-T2;4-(4-Hyd525.077C15H13I2NO42-amino-3-[4-(4-hydroxyphenoxy)-3;5-diiodophenyl]propanoic acidNC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(O)=ONANANANA
20423131801653CE(18:2(9Z;12Z))Cholesteryl linoleic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all Cholesterol ester(18:2);Cholesteryl 1-linoleoic acid;Cholesterol ester(18:2/0:0);Cholesterol 1-(9Z;12Z-octadecadienoate);Cholesteryl 1-(9Z;12Z-octadecadienoate);18:2(9Z;12Z) Cholesterol ester;Choleste649.101C45H76O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (9Z;12Z)-octadeca-9;12-dienoateCCCCCC=C/CC=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANA1.7e-13 mg/L at 25 °CNA
20424457801ClionasterolClionasterol; also known as gamma-sitosterol or harzol; belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton; which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. (3beta;24S)-Stigmast-5-en-3-ol;22;23-Dihydroporiferasterol;24-Ethylcholest-5-en-3 beta-ol;24beta-Ethyl-5-cholesten-3beta-ol;24beta-Ethylcholesterol;24S-Ethylcholest-5-en-3beta-ol;beta-Dihydrofucostero414.7067C29H50O(1S;2R;5S;10S;11S;14R;15R)-14-[(2R;5S)-5-ethyl-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-ol[H][C@@]12CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12CNA1474.6e-05 mg/L at 25 °CNA
2042565076Cholesterol sulfateCholesterol sulfate; or cholest-5-en-3beta-ol sulfate; is an endogenous steroid and the C3beta sulfate ester of cholesterol. It is formed from cholesterol by steroid sulfotransferases (SSTs) such as SULT2B1b (also known as cholesterol sulfotransferase) and is converted back into cholesterol by steroCHOLEST-5-en-3-yl hydrogen sulfATE;Cholest-5-en-3beta-ol sulfate;Cholesterol 3-sulfate;Cholesterol 3-sulphate;Cholesterol hydrogen sulfate;Cholesterol hydrogen sulphate;Cholesterol sulphate;Cholestery466.717C27H46O4S[(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl]oxidanesulfonic acid[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=ONANANANA
20426NACE(16:1(9Z))CE(16:1(9Z)); also known as (Z)-cholesterol 9-hexadecenoate or 1-palmitoleoyl-cholesterol; is an important plasma cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. (Z)-Cholesterol 9-hexadecenoate;(Z)-Cholesterol 9-hexadecenoic acid;1-Palmitoleoyl-cholesterol;16:1(9Z) Cholesterol ester;CE(16:1(9Z));CE(16:1/0:0);CE(16:1n7/0:0);CE(16:1W7/0:0);Cholesterol cis-9-hexa623.063C43H74O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (9Z)-hexadec-9-enoate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCC=C/CCCCCC)[C@H](C)CCCC(C)CNANA3.5e-20 mg/L at 25 °CNA
20428439763LithocholyltaurineLithocholyltaurine is a bile salt formed in the liver from lithocholic acid conjugation with taurine; usually as the sodium salt. It solubilizes fats for absorption and is itself absorbed. Lithocholic acid; a hydrophobic secondary bile acid; is well known to cause intrahepatic cholestasis. Taurolithocholate;Taurolithocholic acid;Taurine lithocholate;Acid; taurolithocholic;Taurolithocholic acid; monosodium salt;Lithocholate; taurine;3alpha-Hydroxy-5beta-cholanoyltaurine;3alpha-Hydroxy-N-483.71C26H45NO5S2-[(4R)-4-[(1S;2S;5R;7R;10R;11S;14R;15R)-5-hydroxy-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=ONA212NANA
20429222284beta-Sitosterolbeta-Sitosterol; a main dietary phytosterol found in plants; may have the potential for prevention and therapy for human cancer. Phytosterols are plant sterols found in foods such as oils; nuts; and vegetables. Phytosterols; in the same way as cholesterol; contain a double bond and are susceptible t(-)-beta-Sitosterol;(24R)-Ethylcholest-5-en-3beta-ol;(24R)-Stigmast-5-en-3beta-ol;(3beta)-Stigmast-5-en-3-ol;22;23-Dihydrostigmasterol;24alpha-Ethylcholesterol;alpha-Dihydrofucosterol;Azuprostat;beta-414.718C29H50O(1S;2R;5S;10S;11S;14R;15R)-14-[(2R;5R)-5-ethyl-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-ol[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)CNA14010 mg/mLNA
20432246520CE(16:0)CE(16:0); also known as cholesteryl palmitic acid; is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. (3beta)-Cholest-5-en-3-ol hexadecanoate;16:0 Cholesterol ester;CE;Cholesterol palmitate;Cholesteryl hexadecanoate;Hexadecanoic acid; cholesteryl ester;Palmitic acid cholesteryl ester;(3b)-Cholest-5-en625.0623C43H76O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl hexadecanoate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)CNA757.1e-13 mg/L at 25 °CNA
204332733768Taurodeoxycholic acidTaurodeoxycholic acid is a bile salt formed in the liver by conjugation of deoxycholate with taurine; usually as the sodium salt. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute; depending only on the presence or absenceTaurodeoxycholate;Acid; taurodeoxycholic;Deoxycholate; taurine;Sodium taurodeoxycholate;Taurine deoxycholate;Deoxycholyltaurine;Taurodeoxycholate; sodium;Deoxytaurocholate;Deoxytaurocholic acid;N-(3a;499.704C26H45NO6S2-[(4R)-4-[(1S;2S;5R;7R;10R;11S;14R;15R;16S)-5;16-dihydroxy-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=ONA20441 mg/mLNA
2043750938266CE(18:1(9Z))Cholesteryl oleate is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all body tissues; and transported in the blood plasma o1-Oleoyl-cholesterol;18:1(9Z) Cholesterol ester;3beta-Hydroxy-5-cholestene 3-oleate;5-Cholesten-3b-ol 3-oleate;CE(18:1);CE(18:1/0:0);CE(18:1n9/0:0);CE(18:1W9/0:0);Cholest-5-en-3-beta-yl oleate;Cholest651.117C45H78O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (9Z)-octadec-9-enoateCCCCCCCCC=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNA943 mg/mLNA
20440168408Tauro-b-muricholic acidTauro-b-muricholic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute; depending only on the presence or absence of hydroxyl groups on positions 3; 7; and 12. Tauro-b-muricholate;N-(3a;6b;7b-Trihydroxy-5b-cholan-24-oyl)-taurine;Tauro-beta-muricholate;Tauro-beta-muricholic acid;T-alpha-MC;T-beta-MC;Tauro-alpha-muricholate;Tauro-alpha-muricholic acid;Tauromur515.703C26H45NO7S2-[(4R)-4-[(2R;5R;7R;8S;9R;14R;15R)-5;8;9-trihydroxy-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)[C@H](CCC3C1[C@@H](O)[C@H]2O)[C@H](C)CCC(=O)NCCS(O)(=O)=ONANANANA
20443387316Taurochenodesoxycholic acidTaurochenodesoxycholic acid is a bile acid formed in the liver by conjugation of chenodeoxycholate with taurine; usually as the sodium salt. Bile acids are steroid acids found predominantly in the bile of mammals. Chenodeoxycholoyltaurine;Taurine chenodeoxycholate;Taurochenodeoxycholate;Taurochenodeoxycholic acid;Taurine chenodeoxycholic acid;Taurochenodesoxycholate;12-Deoxycholyltaurine;12-Desoxycholyltaurine;499.704C26H45NO6S2-[(4R)-4-[(1S;2S;5R;7S;9R;10R;11S;14R;15R)-5;9-dihydroxy-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=ONANANANA
2044464383681;25-Dihydroxyvitamin D3-26;23-lactone1;25-Dihydroxyvitamin D3-26;23-lactone (1;25(OH)2D3-26;23-lactone) is a vitamin D3 metabolite. The formation of 1;25(OH)2D3-26;23-lactone occurs in normocalcemic states and in situations in which 1;25(OH)2D3 has been administered.1;25-Dihydroxycholecalciferol-26-23-lactone;1;25-Lactone;1alpha;25-Dihydroxyvitamin D3-26;23-lactone;23S;25R)-1a;25-Dihydroxyvitamin D3 26;23-lactone;Calcitriol lactone;Calcitriol-26;23-lactone;1 alph444.6035C27H40O5(3R;5S)-5-[(2R)-2-[(1R;3aS;4E;7aR)-4-{2-[(1Z;3S;5R)-3;5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one[H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@H]1C[C@@](C)(O)C(=O)O1NANANANA
204474432124;4-Dimethylcholesta-8;14;24-trienol4;4-Dimethylcholesta-8;14;24-trienol is a product of the enzyme delta14-sterol reductase [EC 1.3.1.70] (KEGG). It is involved in the biosynthesis of steroids and is involved in the conversion of lanosterol to zymosterol. 4;4-Dimechol-8;14;24-trienol;4;4-Dimethylcholesta-8(9);14;24-trien-3beta-ol;4;4-Dimethylcholesta-8(9);14;24-trien-3b-ol;4;4-Dimethylcholesta-8(9);14;24-trien-3β-ol;FF-MAS;Follicular fluid meiosis acti410.6749C29H46O(2S;5S;7R;14R;15R)-2;6;6;15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-1(10);11-dien-5-olC[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3NANANANA
204506564564a-Formyl-5a-cholesta-8;24-dien-3b-ol4a-Formyl-5a-cholesta-8;24-dien-3b-ol belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. 4a-Formyl-5a-cholesta-8;24-dien-3b-ol is an extremely weak basic (essentially neutral) compou4alpha-Formyl-5alpha-cholesta-8;24-dien-3beta -ol;4alpha-Formyl-5alpha-cholesta-8;24-dien-3beta -ol;412.6478C28H44O25-hydroxy-2;15-dimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-1(10)-ene-6-carbaldehydeCC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C=O)C1CC3NANANANA
2045119332127-Deoxy-5b-cyprinol27-Deoxy-5b-cyprinol is an intermediate in Bile acid synthesis pathway; in a sequence of reactions catalyzed by sterol 27-hydroxylase (CYP27) in the oxidation of 5 beta-cholestane-3 alpha;7 alpha;12 alpha;27-tetrol into 3 alpha;7 alpha;12 alpha-trihydroxy-5 beta-cholestanoic acid(3alpha;5beta;7alpha;12alpha)-Cholestane-3;7;12;26-tetrol;3alpha;7alpha;12alpha;26-Tetrahydroxy-5beta-cholestane;5beta-Cholestane 3alpha;7alpha;12alpha;27-tetrol;5beta-Cholestane-3alpha;7alpha;12alpha436.6676C27H48O4(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecane-5;9;16-triol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)CONANANANA
2045265252ObtusifoliolObtusifoliol belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5;7;22-trien-3beta-ol or a derivative thereof; which is based on the 3beta-hydroxylated ergostane skeleton. 4alpha;14alpha-Dimethyl-5alpha-ergosta-8;24(28)-dien-3beta-ol;4alpha;14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol;4a;14a-Dimethyl-5a-ergosta-8;24(28)-dien-3b-ol;4α;14α-Dimethyl-5α-ergos426.7174C30H50O(2S;5S;6S;7S;11R;14R;15R)-2;6;11;15-tetramethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-1(10)-en-5-ol[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)CNANANANA
20453509900814;4-Dimethyl-5a-cholesta-8;24-dien-3-b-ol4;4-Dimethyl-5a-cholesta-8;24-dien-3-b-ol (14-demethyllanosterol) is an intermediate in sterol biosynthesis. In particular; it is an intermediate in the conversion of lanosterol to zymosterol. 4;4-Dimethyl-5a-cholesta-8;24-dien-3-b-ol is a substrate for C-4 methyl sterol oxidase.(3beta;5alpha)-4;4-Dimethylcholesta-8;24-dien-3-ol;14-Demethyllanosterol;4;4-Dimethyl-5 alpha -cholesta-8;24-dien-3 beta -ol;4;4-Dimethyl-5-alpha-cholesta-(8;24)-dien-3-beta-ol;4;4-Dimethyl-5-alpha-ch412.6908C29H48O(2S;5S;7R;11R;15R)-2;6;6;15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-1(10)-en-5-ol[H][C@@]12CCC([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)(C)[C@@H](O)CC[C@]12CNANANANA
204555347772725;26-dihydroxyvitamin D25;26-(OH)2D3 is a renal microsomal 25-OH-D3 metabolite; whose plasma concentration increases during vitamin D excess concomitantly with an increase in the concentration of lactone. This observation considered with the related structural features of 25;26-(OH)2D3 and lactone (both are oxidized at (C25;26-Dihydroxycholecalciferol;25;26-Dihydroxyvitamin D3;9;10-Secocholesta-5;7;10(19)-triene-3b;25;26-triol;25;26-Dihydroxycholecalciferol;25;26-Dihydroxyvitamin D3;9;10-Secocholesta-5;7;10(19)-triene416.6365C27H44O3(6R)-6-[(1R;3aS;5Z;7aS)-5-{2-[(1Z;5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-1;2-diol[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(O)CO)[C@@]1(C)CCC(C2)=CC=C1C[C@@H](O)CCC1=CNANANANA
204561331874;4-Dimethyl-14a-formyl-5a-cholesta-8;24-dien-3b-ol4;4-Dimethyl-14a-formyl-5a-cholesta-8;24-dien-3b-ol; also known as 32-ketolanosterol; belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 4;4-Dimethyl-14a-formyl-5a-cholesta-8;24-dien-3b-ol is an extremely weak basic (essential4;4-Dimethyl-14-alpha-formyl-5-alpha-cholesta-8;24-dien-3-beta-ol;32-Ketolanosterol;32-Oxolanosterol;4;4-Dimethyl-14-alpha-formyl-5-alpha-cholesta-8;24-dien-3-beta-ol;32-Ketolanosterol;32-Oxolanostero440.7009C30H48O2(2S;5S;11S;14R;15R)-5-hydroxy-2;6;6;15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-1(10)-ene-11-carbaldehyde[H][C@@]1(CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)[C@H](C)CCC=C(C)CNANANANA
204581605205beta-Cholestane-3alpha;7alpha;12alpha-triol5beta-Cholestane-3alpha;7alpha;12alpha-triol is an intermediate in bile acid biosynthesis. 5beta-Cholestane-3alpha;7alpha;12alpha-triol is the second to last step in the synthesis of 5beta-cyprinolsulfate. 3alpha;7alpha;12alpha-Trihydroxy-5beta-cholestane;3alpha;7alpha;12alpha-Trihydroxycoprostane;3a;7a;12a-Trihydroxy-5b-cholestane;3Α;7α;12α-trihydroxy-5β-cholestane;3a;7a;12a-Trihydroxycoprostane;3Α;7α;420.6682C27H48O3(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecane-5;9;16-triol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)CNANANANA
204591077227alpha-Hydroxycholesterol7alpha-Hydroxycholesterol is an oxysterol and can serve as a biomarker for lipid peroxidation7alpha-Hydroxy-cholesterol;Cholest-5-ene-3beta;7alpha-diol;7a-Hydroxy-cholesterol;7Α-hydroxy-cholesterol;Cholest-5-ene-3b;7a-diol;Cholest-5-ene-3β;7α-diol;7a-Hydroxycholesterol;7Α-hydroxycholesterol;7402.663C27H46O2(1S;2R;5S;9S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-ene-5;9-diol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CNANANANA
2046214985alpha-Tocopherolalpha-Tocopherol is traditionally recognized as the most active form of vitamin E in humans and is a powerful biological antioxidant. (2R;4'R;8'R)-alpha-Tocopherol;(R;R;R)-alpha-Tocopherol;5;7;8-Trimethyltocol;d-alpha-Tocopherol;Vitamin e;(2R;4'r;8'r)-a-Tocopherol;(2R;4'R;8'R)-α-Tocopherol;a-Tocopherol;α-Tocopherol;(R;R;R)-a-Tocophe430.7061C29H50O2(2R)-2;5;7;8-tetramethyl-2-[(4R;8R)-4;8;12-trimethyltridecyl]-3;4-dihydro-2H-1-benzopyran-6-olCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1NA3NANA
2046452830335b-Cholestane-3a;7a;12a;23-Tetrol6;15-Diketo;13;14-dihydro-PGF1a; also known as 6;15DK;13;14DH-PGF1a; belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring; and are based upon the fatty 6;15-Dioxo-9S;11R-dihydroxy-13E-prostenoic acid;6;15DK;13;14DH-PGF1a;6;15-Dioxo-9S;11R-dihydroxy-13E-prostenoate;6;15-Diketo;13;14-dihydro-PGF1alpha;6;15-Diketo-13;14-dihydro-PGF1a;6;15-Diketo;13;14-d436.6676C27H48O4(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-14-[(2R)-4-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecane-5;9;16-triol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC(O)CC(C)CNANANANA
204651237437a-Hydroxy-cholestene-3-one7a-Hydroxy-cholestene-3-one; also known as cholest-4-en-7alpha-ol-3-one or 7 alpha-3ox-C; belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. 7alpha-Hydroxy-4-cholesten-3-one;Cholest-4-en-7alpha-ol-3-one;7a-Hydroxy-4-cholesten-3-one;7Α-hydroxy-4-cholesten-3-one;Cholest-4-en-7a-ol-3-one;Cholest-4-en-7α-ol-3-one;7 alpha-3Ox-C;7 alpha-Hydroxy-400.6371C27H44O2(1S;2R;9R;10S;11S;14R;15R)-9-hydroxy-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-6-en-5-one[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CNANANANA
2046712397627-Hydroxycholesterol27-Hydroxycholesterol (27-HC); also known as (25R)-cholest-5-ene-3β;26-diol or by its conventional name 26-hydroxycholesterol; is an oxygenated derivative of cholesterol and a major oxysterol in circulation(25R)-26-Hydroxycholesterol;5-Cholestene-3beta;27-diol;Cholest-5-ene-3beta;27-diol;5-Cholestene-3b;27-diol;5-Cholestene-3β;27-diol;Cholest-5-ene-3b;27-diol;Cholest-5-ene-3β;27-diol;(25R)-Cholest-5-ene402.6529C27H46O2(1S;2R;5S;10S;11S;14R;15R)-14-[(2R;6R)-7-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-ol[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@@H](C)CONANANANA
204682125227827-Nor-5b-cholestane-3a;7a;12a;24;25-pentol27-Nor-5b-cholestane-3a;7a;12a;24;25-pentol; also known as 27-nor-pentol or 27-NC-3;7;12;24;25-po; belongs to the class of organic compounds known as pentahydroxy bile acids; alcohols and derivatives. These are bile acids; alcohols or derivatives bearing five hydroxyl groups. 27-Nor-pentol;26(Or 27)-norcholestane-3;7;12;24;25-pentol;27-NC-3;7;12;24;25-PO;27-Nor-5beta-cholestane-3alpha;7alpha;12alpha;24xi;25xi-pentol;27-Nor-5 beta-cholestane-3 alpha;7 alpha;12 alpha;24;25-p438.6404C26H46O5(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-14-[(2R)-5;6-dihydroxyheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecane-5;9;16-triol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(C)ONANANANA
2046919630227-Norcholestanehexol27-Norcholestanehexol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. 27-N-5-CH;27-Nor-5beta-cholestane- 3alpha;7alpha;12alpha;24alpha;24xi;25xi;26-hexol;27-Norcholestane-3;7;12;24;25;26-hexol;27-N-5-CH;27-Nor-5beta-cholestane- 3alpha;7alpha;12alpha;24alpha;24xi;25xi;26454.6398C26H46O6(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-2;15-dimethyl-14-[(2R)-5;6;7-trihydroxyheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecane-5;9;16-triol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CONANANANA
20470NA5b-Cholestane-3a;7a;12a;25;26-pentol5b-Cholestane-3a;7a;12a;25;26-pentol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals; cholesterol is metabolized 3alpha;7alpha;12alpha;25;27-Pentahydroxy-5beta-cholestane;5beta-Cholestane-3alpha;7alpha;12alpha;25;26-pentol;5β-cholestane-3α;7α;12α;25;26-pentol;5 beta-Bufol;Cholestane-3;7;12;25;26-pentol;3alpha;7a452.667C27H48O5(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-14-[(2R)-6;7-dihydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecane-5;9;16-triol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CONANANANA
20471102182CE(12:0)Cholesteryl lauric acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all bo12:0 cholesterol ester;1-dodecanoyl-cholesterol;cholesteryl 1-dodecanoate;Cholesterol Ester(12:0);CE(12:0);CE(12:0/0:0);cholesterol 1-dodecanoic acid;Cholesterol Ester(12:0/0:0);cholesterol 1-dodecano568.956C39H68O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl dodecanoate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCC)[C@H](C)CCCC(C)CNANA7.8e-11 mg/L at 25 °CNA
204735281326IsofucosterolIsofucosterol; also known as delta5-avenasterol; is a phytosterol. Phytosterols; or plant sterols; are compounds that occur naturally and bear a close structural resemblance to cholesterol but have different side-chain configurations. (24Z)-24-Ethylcholesta-5;24(28)-dien-3beta-ol;(24Z)-Ethylidenecholesterol;(3beta)-Stigmasta-5;24(28)-dien-3-ol;(3beta;24Z)-Stigmasta-5;24(28)-dien-3-ol;(Z)-24-Ethylcholesta-5;24(28)-dien-3beta-ol;(Z)-412.702C29H48O(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R;5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-ol[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=CC)C(C)CNANANANA
20476NA(3a;5b;7a;12a)-24-[(carboxymethyl)amino]-1;12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acidb-D-GlucopyranosIduronic acid; (3a;5b;7a;12a)-24-[(carboxymethyl)amino]-1;12-dihydroxy-24-oxocholan-3-yl is found in the urine of leprosy patients. It is red in color similar to clofazimine. It is considered more polar than the parent drug. It is formed by hydrolytic deamination followed by glucuronNA641.7468C32H51NO12(2S;3S;4S;5R;6R)-6-{[(1S;2S;5R;7R;9R;10R;11S;15R;16S)-14-[(2R)-4-[(carboxymethyl)carbamoyl]butan-2-yl]-9;16-dihydroxy-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecan-5-yl]oxy}-3;4;5-trihydroxyoxane-2-carboxylic acid[H][C@@]12CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=ONANANANA
20482122196Triiodothyronine sulfateTriiodothyronine sulfate (T3S); also known as 3;5;3‘-triiodothyronine sulfate; is the sulfated conjugate of the thyroid hormone triiodothyronine (T3). T3; along with thyroxine (T4) are tyrosine-based hormones that are primarily responsible for regulation of metabolism.(2S)-2-Amino-3-{3;5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid;Triiodothyronine sulfuric ester;(2S)-2-Amino-3-{3;5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoate;(2S)-2-Amino-3731.037C15H12I3NO7S(2S)-2-amino-3-{3;5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acidN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C(I)=C1)C(O)=ONANANANA
20484NAWithanolideWithanolides; which are extracted from Withania somnifera; are employed in the treatment of arthritis and are known to be potent inhibitors of angiogenesis; inflammation and oxidative stress. Withanolides can indeed inhibit the activation of NF-κB and NF-κB-regulated gene expression; which could exp(4beta;5beta;6beta;22R)-5;6-Epoxy-4;20;22-trihydroxy-1-oxoergosta-2;24-dien-26-Oate;(4beta;5beta;6beta;22R)-5;6-Epoxy-4;20;22-trihydroxy-1-oxoergosta-2;24-dien-26-Oic acid;(4beta;5beta;6beta;22R)-5;6-470.5977C28H38O6(1S;2R;6S;9R;11S;12S;15S;16S)-15-[(1R)-1-[(2R)-4;5-dimethyl-6-oxo-3;6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2;16-dimethyl-8-oxapentacyclo[9.7.0.0²;⁷.0⁷;⁹.0¹²;¹⁶]octadec-4-en-3-one[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)(O)[C@@]5([H])CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)C13O2NANANANA
20486111329CE(5:0)Cholesteryl pentanoate is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all body tissues; and transported in the blood plas(3b)-Cholest-5-en-3-ol pentanoate;(3b)-Cholest-5-en-3-ol pentanoic acid;5-Cholesten-3b-ol valerate;Cholest-5-en-3b-ol valerate;Cholesterol pentanoate;Cholesterol pentanoic acid;Cholesterol valerate;Ch470.77C32H54O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl pentanoate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCC)[C@H](C)CCCC(C)CNANA2.9e-07 mg/L at 25 °CNA
204874394793a;7a;12a-Trihydroxy-5b-cholestan-26-al3alpha;7alpha;12alpha-Trihydroxy-5beta-cholestan-26-al is an intermediate in bile acid biosynthesis. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute; depending only on the presence or absence of hydroxyl groups on positi(3alpha;5beta;7alpha;12alpha)-3;7;12-Trihydroxycholestan-26-al;3;7;12-Trihydroxycholestan-26-al;(3a;5b;7a;12a)-3;7;12-Trihydroxycholestan-26-al;(3Α;5β;7α;12α)-3;7;12-trihydroxycholestan-26-al;(6R)-2-M434.6517C27H46O4(6R)-2-methyl-6-[(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-5;9;16-trihydroxy-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecan-14-yl]heptanal[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C=ONANANANA
204884225619CE(10:0)Cholesteryl decanoate is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all body tissues; and transported in the blood plasm3b-(Decanoyloxy)-5-cholestene;5-Cholesten-3b-ol caprate;Cholest-5-en-3b-ol caprate;Cholesterol 3-decanoate;Cholesterol 3-decanoic acid;Cholesterol caprate;Cholesterol decanoate;Cholesterol decanoic ac540.9029C37H64O22;15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl decanoateCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)CNA79NANA
204922723897Cholesteryl acetateCholesteryl acetate is a normal human cholesteryl ester present in diverse fluids and organs. Cholesteryl acetate is also present in foods. Food oxidation affects the quality and safety of the human diet by generating compounds with biological activities that can adversely affect health.(-)-Cholesteryl acetate;(3beta)-Cholest-5-en-3-ol acetate;3-Cholesteryl acetate;3beta-Acetoxycholest-5-ene;5-Cholesten-3beta-ol acetate;Cholest-5-en-3beta-ol acetate;Cholest-5-en-3beta-yl acetate;Chol428.701C29H48O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl acetate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O)[C@H](C)CCCC(C)CNANA9.7e-06 mg/L at 25 °CNA
2049653267933b;5a;6b-Cholestanetriol3b;5a;6b-Cholestanetriol; also known as cholestane-3-b;5-a;6-b-triol; belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. 3beta;5alpha;6beta-Cholestanetriol;3beta;5alpha;6beta-Trihydroxycholestane;Cholestane-3-beta;5-alpha;6-beta-triol;Cholestane-3beta-5alpha;6beta-triol;3Β;5α;6β-cholestanetriol;3b;5a;6b-Trihydroxycholes420.6682C27H48O3(1S;2R;5S;7R;8R;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecane-5;7;8-triol[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12CNANANANA
2050016768522b-Hydroxycholesterol22b-Hydroxycholesterol; also known as cholest-5-en-3b;22R-diol or 22(R)OH cholesterol; belongs to the class of organic compounds known as dihydroxy bile acids; alcohols and derivatives. Dihydroxy bile acids; alcohols and derivatives are compounds containing or derived from a bile acid or alcohol; an(3beta;22R)-Cholest-5-ene-3;22-diol;22beta-Hydroxycholesterol;22R-Hydroxycholesterol;Cholest-5-en-3beta;22R-diol;(22R)-22-Hydroxycholesterol;(3b;22R)-Cholest-5-ene-3;22-diol;(3Β;22R)-cholest-5-ene-3;2402.6529C27H46O2(1S;2R;5S;10S;11S;14R;15S)-14-[(2S;3R)-3-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-ol[H][C@@]12CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12CNANANANA
20503444036Fluticasone propionateFluticasone propionate; a medium-potency synthetic corticosteroid; is used topically to relieve inflammatory and pruritic symptoms of dermatoses and psoriasis; intranasally to manage symptoms of allergic and non-allergic rhinitis; and orally for the treatment of asthma. Cutivate;Flonase;Flovent;Cutivic acid;Fluticasone propionic acid;Flovent diskus 250;Flovent diskus 50;CCI-18781cutivATE;Flovent diskus 100;Flovent hfa;FLUTICASONE;CCI 18781;CCI-18781cutivic acid;Asmat500.571C25H31F3O5S(1R;2S;8S;10S;11S;13R;14R;15S;17S)-1;8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2;13;15-trimethyl-5-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-3;6-dien-14-yl propanoate[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12CNANANANA
20504104810CE(18:1(11Z))CE(18:1(11Z)) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and foBa(2+);Ba2+;BARIUM ion;Barium(2+);Ba;Cholesterol 1-(11Z-octadecenoic acid);Cholesteryl 1-(11Z-octadecenoic acid);1-Vaccenoyl-cholesterol;Cholesterol 1-vaccenoic acid;Cholesterol ester(18:1/0:0);Choles651.0996C45H78O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (11Z)-octadec-11-enoateCCCCCCC=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2050553477794CE(20:1(11Z))CE(20:1(11Z)) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and fo1-(11-Eicosenoate;1-(11-Eicosenoic acid;1-(11-Eicosenoic acid);1-(11-Eicosenoyl)-cholesterol;1-Eicosenoyl-cholesterol;20:1 Cholesterol ester;20:1(11Z) Cholesterol ester;CE(20:1);CE(20:1/0:0);CE(20:1n9679.1528C47H82O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (11Z)-icos-11-enoateCCCCCCCCC=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
205134731417beta-Hydroxycholesterol7beta-Hydroxycholesterol belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus; 7beta-hydroxycholesterol is considered to be a sterol lipid molecule. (3beta;7beta)-Cholest-5-ene-3;7-diol;7-HYDROXYCHOLESTEROL;(3b;7b)-Cholest-5-ene-3;7-diol;(3Β;7β)-cholest-5-ene-3;7-diol;7b-Hydroxycholesterol;7Β-hydroxycholesterol;7 beta-Hydroxycholesterol;Cholest-5-402.6529C27H46O2(1S;2R;5S;9R;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-ene-5;9-diol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CNANANANA
205149547243ErcalcitriolErcalcitriol is the active circulating metabolite of vitamin D2. Vitamin D2 is modified by 25-hydroxylase in the liver and 25-hydroxyvitamin D *-hydroxylase in the kidney to form the active metabolite; ercalcitriol; which is then metabolized by 25-hydroxyvitamin D-24-hydroxylase (24-OHase; CYP24A1; 1;25-Dihydroxycalciferol;1;25-Dihydroxyergocalciferol;1;25-Dihydroxyvitamin D2;1alpha;25-Dihydroxycalciferol;1alpha;25-Dihydroxyergocalciferol;1a;25-Dihydroxycalciferol;1Α;25-dihydroxycalciferol;1a;25428.6472C28H44O3(1R;3S;5Z)-5-{2-[(1R;3aS;4E;7aR)-1-[(2R;3E;5S)-6-hydroxy-5;6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1;3-diolC[C@H](C=C[C@H](C)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=CNANANANA
20515528374824R;25-Dihydroxyvitamin D324R;25-Dihydroxyvitamin D3; also known as 24(R);25(OH)2D3; is a vitamin D metabolite; a dihydroxylated form of the seco-steroid. With the identification of a target cell; the growth plate resting zone (RC) chondrocyte; studies indicate that there are specific membrane-associated signal transduction (24R)-24;25-Dihydroxycholecalciferol;(24R)-24;25-Dihydroxyvitamin D3;24(R);25-Dihydroxyvitamin D3;24R;25(OH)2D3;24R;25-Dihydroxycholecalciferol;Secalciferol;Osteo D;24;25-Dihydroxycholecalciferol;24;2416.646C27H44O3(3R;6R)-6-[(1R;3aS;4E;7aR)-4-{2-[(1Z;5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2;3-diol[H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)ONANANANA
20516644628024-Hydroxycalcitriol24-Hydroxycalcitriol stimulates intestinal calcium transport but not bone calcium mobilization or phosphate transport reactions.1alpha;24R;25(OH)3D3;1alpha;24R;25-Trihydroxycholecalciferol;1alpha;24R;25-Trihydroxyvitamin D3;1a;24R;25(OH)3D3;1Α;24R;25(OH)3D3;1a;24R;25-Trihydroxycholecalciferol;1Α;24R;25-trihydroxycholecalcifero432.6359C27H44O4(1R;3S;5Z)-5-{2-[(1R;3aS;4E;7aR)-1-[(2R;5R)-5;6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1;3-diolC[C@H](CC[C@@H](O)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=CNANANANA
205175347780725-Hydroxycholesterol25-Hydroxycholesterol is steroid derivative that suppresses the cleavage of sterol regulatory element binding proteins (SREBPs). It also induces apoptosis through down-regulation of Bcl-2 expression and activation of caspases. 25-Hydroxycholesterol also enhances Interleukin-1 beta (IL-1beta-induced)(beta)-Cholest-5-ene-3-25-diol;25-Hydroxy-cholesterol;25-Hydroxycholest-5-en-3-ol;5-Cholestene-3beta-25-diol;Cholest-5-en-3beta-25-diol;Cholest-5-ene-3-b;25-diol;Cholest-5-ene-3-beta;25-diol;Cholest-5402.6529C27H46O2(2R;5S;10S;14R;15R)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-ol[H]C12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12CNA172NANA
205204409857-a;27-Dihydroxycholesterol7-a;27-Dihydroxycholesterol; also known as cholest-5-ene-3b;7a;26-triol; belongs to the class of organic compounds known as trihydroxy bile acids; alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. 5-Cholestene-3beta;7alpha;26-triol;7-alpha;27-Dihydroxycholesterol;Cholest-5-ene-3beta;7alpha;26-triol;Cholest-5-ene-3beta;7alpha;27-triol;5-Cholestene-3b;7a;26-triol;5-Cholestene-3β;7α;26-triol;7-Α;2418.6523C27H46O3(1S;2R;5S;9S;10S;11S;14R;15R)-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-ene-5;9-diol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CONANANANA
2052144071120alpha-Hydroxycholesterol20alpha-Hydroxycholesterol belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus; 20alpha-hydroxycholesterol is considered to be a sterol. Based on a literature review very few art20a-Hydroxycholesterol;20Α-hydroxycholesterol;(20S)-20-Hydroxycholesterol;(20S)-Cholest-5-ene-3 beta;20-diol;20 alpha-Hydroxycholesterol;20-Hydroxycholesterol;20-Hydroxycholesterol; (3beta;20 xi)-isom402.6529C27H46O2(1S;2R;5S;10S;11S;14S;15S)-14-[(2R)-2-hydroxy-6-methylheptan-2-yl]-2;15-dimethyltetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-olCC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CNANANANA
205261307227023S;25-dihydroxyvitamin D323S;25-dihydroxyvitamin D3 (23S;25-(OH)2D3) is a circulating metabolite of vitamin D3 during vitamin D excess. During hypocalcemia or hypovitaminosis D; 25-OH-D3 is 1alpha-hydroxylated; primarily in kidney; to produce 1;25-(OH)2D3. (3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-3;23;25-triol;23;25-Dihydroxycholecalciferol;23;25-Dihydroxyvitamin D3;23S;25-Dihydroxyvitamin D;23;25-Dihydroxyvitamin D3; (3beta;5Z;7E;23R)-isomer;2416.6365C27H44O3(6R)-6-[(1R;4E;7aR)-4-{2-[(1Z;5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2;4-diolOC(C[C@@H](C)[C@H]1CCC2([H])C(CCC[C@]12C)=CC=C1C[C@H](O)CCC1=C)CC(O)(C)CNANANANA
2052799486CE(14:0)CE(14:0) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and for sto1-Myristoyl-cholesterol;CE(14:0/0:0);Cholesterol 1-tetradecanoic acid;Cholesterol ester(14:0);Cholesterol ester(14:0/0:0);Cholesteryl tetradecanoate;Cholesterol 1-tetradecanoate;Cholesteryl tetradecan597.0092C41H72O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl tetradecanoate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCC)[C@H](C)CCCC(C)CNANA7.4e-12 mg/L at 25 °CNA
205286479222CE(20:4(5Z;8Z;11Z;14Z))CE(20:4(5Z;8Z;11Z;14Z)) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. (5Z;8Z;11Z;14Z-Eicosatetraenoate;(5Z;8Z;11Z;14Z-Eicosatetraenoate);(5Z;8Z;11Z;14Z-Eicosatetraenoic acid;20:4 Cholesterol ester;Cholest-5-en-3-ol (3beta)- 5;8;11;14-eicosatetraenoate;Cholest-5-en-3-ol 673.123C47H76O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (5Z;8Z;11Z;14Z)-icosa-5;8;11;14-tetraenoateCCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
20529131150CE(22:0)CE(22:0) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and for sto1-Tetradecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine;GPCho(14:0/18:0);Phosphatidylcholine(14:0/18:0);1-Myristoyl-2-stearoylphosphatidylcholine;1m-2S-PC;GPCho(32:0);Lecithin;Phosphatidylcholine(3709.2218C49H88O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl docosanoateCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2053053477888CE(24:1(15Z))Cholesteryl nervonic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all 24:1 Cholesterol ester;Cholest-5-en-3beta-yl (15Z-tetracosenoate;Cholest-5-en-3beta-yl (15Z-tetracosenoate);Cholest-5-en-3beta-yl (15Z-tetracosenoic acid;Cholesteryl nervonic acid;Cholesterol 1-nervon735.2591C51H90O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (15Z)-tetracos-15-enoateCCCCCCCCC=C/CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1NANANANA
2053116061341CE(22:4(7Z;10Z;13Z;16Z))Cholesteryl docosatetraenoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes22:4 Cholesterol ester;Cholest-5-en-3beta-yl (7Z;10Z;13Z;16Z-docosatetraenoate;Cholest-5-en-3beta-yl (7Z;10Z;13Z;16Z-docosatetraenoic acid;Cholesteryl docosatetraenoate;Cholesteryl docosatetraenoic ac701.177C49H80O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (7Z;10Z;13Z;16Z)-docosa-7;10;13;16-tetraenoateCCCCCC=C/CC=C/CC=C/CC=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2053253477889CE(20:5(5Z;8Z;11Z;14Z;17Z))Cholesteryl eicosapentaenoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes(3b)-Cholest-5-en-3-ol (5Z;8Z;11Z;14Z;17Z)-5;8;11;14;17-eicosapentaenoate;(3b)-Cholest-5-en-3-ol (5Z;8Z;11Z;14Z;17Z)-5;8;11;14;17-eicosapentaenoic acid;(3b)-Cholest-5-en-3-ol (all-Z)-5;8;11;14;17-ei671.0893C47H74O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (5Z;8Z;11Z;14Z;17Z)-icosa-5;8;11;14;17-pentaenoateCCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2053353477890CE(22:6(4Z;7Z;10Z;13Z;16Z;19Z))Cholesteryl docosahexaenoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes 22:6 Cholesterol ester;Cholest-5-en-3beta-yl (4Z;7Z;10Z;13Z;16Z;19Z-docosahexaenoate;Cholest-5-en-3beta-yl (4Z;7Z;10Z;13Z;16Z;19Z-docosahexaenoate);Cholest-5-en-3beta-yl (4Z;7Z;10Z;13Z;16Z;19Z-docosah697.1265C49H76O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (4Z;7Z;10Z;13Z;16Z;19Z)-docosa-4;7;10;13;16;19-hexaenoateCCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2053453477895CE(20:2(6Z;9Z))Cholesteryl eicosadienoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes ofLacCer(D18:1/16:0);N-(Hexadecanoyl)-1-b-lactosyl-sphing-4-enine;1-O-(4-O-b-D-Galactopyranosyl-b-D-glucopyranosyl)-ceramide;1-O-(4-O-beta-D-Galactopyranosyl-beta-glucopyranosyl)ceramide;1-O-(4-O-beta-d677.1369C47H80O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (11Z;14Z)-icosa-11;14-dienoateCCCCCC=C/CC=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2053553477892CE(20:3(8Z;11Z;14Z))Cholesteryl eicosatrienoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes o20:3 Cholesterol ester;Cholest-5-en-3beta-yl (8Z;11Z;14Z-eicosatrienoate;Cholest-5-en-3beta-yl (8Z;11Z;14Z-eicosatrienoate);Cholest-5-en-3beta-yl (8Z;11Z;14Z-eicosatrienoic acid;Cholesteryl eicosatrie675.121C47H78O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (8Z;11Z;14Z)-icosa-8;11;14-trienoateCCCCCC=C/CC=C/CC=C/CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1NANANANA
2053653477893CE(22:2(13Z;16Z))Cholesteryl docosadienoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of22:2 Cholesterol ester;Cholest-5-en-3beta-yl (13Z;16Z-docosadienoate;Cholest-5-en-3beta-yl (13Z;16Z-docosadienoate);Cholest-5-en-3beta-yl (13Z;16Z-docosadienoic acid;Cholesteryl docosadienoate;Cholest705.1901C49H84O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (13Z;16Z)-docosa-13;16-dienoateCCCCCC=C/CC=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2053714274981CE(19:0)Cholesteryl nonadecanoic acid is a cholesteryl ester. Cholesteryl ester (CE) is the major transport and storage form of cholesterol in lipoprotein particles and most cell types. Molecular composition of CE species is of high interest for arteriosclerosis research19:0 Cholesterol ester;19:0 Cholesteryl ester;CE 19:0;Cholest-5-en-3beta-yl nonadecanoate;Nonadecanoylcholesterol;Cholest-5-en-3b-yl nonadecanoate;Cholest-5-en-3b-yl nonadecanoic acid;Cholest-5-en-3be667.1421C46H82O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl nonadecanoate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCCC)[C@H](C)CCCC(C)CNANANANA
2053853477894CE(20:0)CE(20:0) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and for sto1-Arachidonyl-cholesterol;20:0 Cholesterol ester;CE(20:0/0:0);Cholest-5-en-3b-yl eicosanoate;Cholest-5-en-3b-yl eicosanoic acid;Cholesterol 1-arachidonyl;Cholesterol 1-eicosanoate;Cholesterol 1-eicosa681.1687C47H84O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl icosanoateCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNA85NANA
20545534815012-Hydroxyestrone-1-S-glutathione2-Hydroxyestrone-1-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary.2;3-Dihydroxy-1;3;5[10]-estratriene-17-one-1-S-glutathione;(2R)-2-Amino-4-{[(1S)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptade591.673C28H37N3O9S(2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-3-yl]sulfanyl}ethyl]carbamoyl}butanoic acidC[C@]12CCC3C(CCC4=C3C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)=C(O)C(O)=C4)C1CCC2=ONANANANA
20546534815022-Hydroxyestrone-4-S-glutathione2-Hydroxyestrone-4-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary.2;3-Dihydroxy-1;3;5[10]-estratriene-17-one-4-S-glutathione;(2R)-2-Amino-4-{[(1S)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptade591.673C28H37N3O9S(2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-6-yl]sulfanyl}ethyl]carbamoyl}butanoic acidC[C@]12CCC3C(CCC4=C3C=C(O)C(O)=C4SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C1CCC2=ONANANANA
20548534815214-Hydroxyestrone-2-S-glutathione4-Hydroxyestrone-2-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. 3;4-Dihydroxy-1;3;5[10]-estratriene-17-one-2-S-glutathione;(2R)-2-Amino-4-{[(1S)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(15S)-5;6-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptade591.673C28H37N3O9S(2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-5;6-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-4-yl]sulfanyl}ethyl]carbamoyl}butanoic acidC[C@]12CCC3C(CCC4=C3C=C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=C4O)C1CCC2=ONANANANA
2055432470604b-Hydroxycholesterol4b-Hydroxycholesterol; also known as cholest-5-en-3b;4b-diol; belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus; 4b-hydroxycholesterol is considered to be a sterol lipid molecu(3beta;4beta)-Cholest-5-ene-3;4-diol;Cholest-5-en-3beta;4beta-diol;(3b;4b)-Cholest-5-ene-3;4-diol;(3Β;4β)-cholest-5-ene-3;4-diol;Cholest-5-en-3b;4b-diol;Cholest-5-en-3β;4β-diol;(4b)-Cholest-5-ene-3b;4402.6529C27H46O2(1S;2R;5S;6R;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-ene-5;6-diol[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CNANANANA
205573372FluphenazineFluphenazine is only found in individuals that have used or taken this drug. It is a phenothiazine used in the treatment of psychoses. Its properties and uses are generally similar to those of chlorpromazine. [PubChem]Fluphenazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in th1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine;10-(3'-(4''-(beta-Hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine;10-(3-(2-Hydroxyethyl)piperazinopr437.522C22H26F3N3OS2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-olOCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1NA250.019 g/LNA
2056284088HydrocortamateHydrocortamate is a synthetic glucocorticoid used for its anti-inflammatory or immunosuppressive properties to treat inflammation due to corticosteroid-responsive dermatoses. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a 17-Hydroxycorticosterone; 21-(diethylamino)acetate;Hidrocortamato;Hydrocortamatum;17-Hydroxycorticosterone; 21-(diethylamino)acetic acid;Hydrocortamic acid;17-Hydroxycorticosterone; 21-(diethylamino)a475.6175C27H41NO62-[(1S;2R;10S;11S;14R;15S;17S)-14;17-dihydroxy-2;15-dimethyl-5-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-6-en-14-yl]-2-oxoethyl 2-(diethylamino)acetate[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CNANA0.086 g/LNA
205635566TrifluoperazineTrifluoperazine is only found in individuals that have used or taken this drug. It is a phenothiazine with actions similar to chlorpromazine. It is used as an antipsychotic and an antiemetic. [PubChem]Trifluoperazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain;10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine;10-[3-(4-METHYL-piperazin-1-yl)-propyl]-2-trifluoromethyl-10H-phenothiazine;Trifluoperazina;Trifluoperazinum;Trifluoromethyl407.496C21H24F3N3S10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazineCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1NANA0.0088 g/LNA
2056525137957CarphenazineCarphenazine is only found in individuals that have used or taken this drug. It is an antipsychotic drug; used in hospitalized patients in the management of chronic schizophrenic psychoses.A yellow; powdered; phenothiazine antipsychotic agent used in the treatment of acute or chronic schizophrenia. 1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone;Carfenazina;Carfenazine;Carfenazinum;Carphenazin;1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1411.56C23H29N3O2S1-(10-{2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl}-10H-phenothiazin-2-yl)propan-1-oneCCC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCN2CCN(CCO)CC2)C=C1NANA0.09 g/LNA
2056617676AcetophenazineAcetophenazine is only found in individuals that have used or taken this drug.It is an antipsychotic drug of moderate-potency. It is used in the treatment of disorganized and psychotic thinking. It is also used to help treat false perceptions (e.g. hallucinations or delusions).Tindal;Acetophenazine; (Z)-2-maleate (1:2) salt;Acetophenazine; ion (1+);Acetophenazine maleate;Tindal;Acetophenazine; (Z)-2-maleate (1:2) salt;Acetophenazine; ion (1+);Acetophenazine maleate;Acetophe411.56C23H29N3O2S1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethan-1-oneCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1NANA0.06 g/LP10275
20569131751296Nb-trans-p-Coumaroylserotonin glucosideNb-trans-p-Coumaroylserotonin glucoside is found in fats and oils. It is an alkaloid from Carthamus tinctorius (safflower) If neurons that make serotonin serotonergic neurons are abnormal in infants; there is a risk of sudden infant death syndrome (SIDS). 5-Hydroxytryptamine;(2E)-3-(4-Hydroxyphenyl)-N-[2-(5-{[3;4;5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enimidate;5-Hydroxytryptamine;(2E)-3-(4-Hydroxyphenyl)-N-[2-(5-{[3;4;484.4984C25H28N2O8(2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3;4;5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamideOCC1OC(OC2=CC3=C(NC=C3CCNC(=O)C=CC3=CC=C(O)C=C3)C=C2)C(O)C(O)C1ONA240NANA
20586NALysoPA(0:0/16:0)LysoPA(0:0/16:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. 2-Palmitoyl-glycero-3-phosphate; LPA(0:0/16:0); Lysophosphatidic acid(0:0/16:0); LPA(16:0); 2-Hexadecanoyl-phosphatidic acid; 2-Hexadecanoyl-glycero-3-phosphate; Lysophosphatidic acid(16:0); [2-(Hexad410.4825C19H39O7P[2-(hexadecanoyloxy)-3-hydroxypropoxy]phosphonic acidCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=ONANANANA
20587NACalcidiolCalcidiol; also known as 25(OH)D3 or rayaldee; belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone; usually secoergostane or secocholestane. (3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-3;25-diolChEBI(3S;5Z;7E)-9;10-Secocholesta-5;7;10-triene-3;25-diolChEBI(5Z;7E)-(3S)-9;10-Secocholesta-5;7;10(19)-triene-3;25-diolChEBI25(OH)D3ChEBI25-400.6371C27H44O2(1S;3Z)-3-{2-[(1R;3aS;4E;7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-olC[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=CNANANANA
20618NALiothyronineLiothyronine is a T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone that is finally deliver3;5;3'-Triiodo-L-thyronineChEBI3;5;3'-TriiodothyronineChEBI3;5;3'TRIIODOTHYRONINEChEBI4-(4-Hydroxy-3-iodophenoxy)-3;5-diiodo-L-phenylalanineChEBIL-3;5;3'-TriiodothyronineChEBIL-T3ChEBILiothyroninumChE650.9735NA(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3;5-diiodophenyl]propanoic acidN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=ONANANANA
20619NAAlfacalcidolAlfacalcidol is an active metabolite of Vitamin D; which performs important functions in regulation of the calcium balance and the bone metabolism. Alfacalcidol is Vitamin D-hormone analog which is activated by the enzyme 25-hydroxylase in the liver for systemic and in osteoblasts for local D-hormon(5Z;7E)-9;10-Seco-5;7;10(19)-cholestatrien-1alpha;3beta-diolChEBI1alpha-Hydroxy-vitamin D3ChEBI1alpha-HydroxycholecalciferolChEBI1alpha-Hydroxyvitamin D3ChEBI9;10-Secocholesta-5;7;10(19)-triene-1alpha400.6371NA(1R;3S;5Z)-5-{2-[(1R;3aS;4E;7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1;3-diolCC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=CNA1360.0016 g/LNA
20621NABrassinolideBrassinolide belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one. Thus, brassinolide is considered to be a sterol.24-Epibrassinolide; 2,3,22,23-Tetrahydroxy-24-methyl-b-homo-7-oxacholestan-6-one; 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-b-homo-7-oxa-5alpha-cholestan-6-one; Brassinolide480.6771C28H48O6(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one[H][C@@]12CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])COC(=O)[C@@]2([H])C[C@H](O)[C@H](O)C[C@]12CNA2740.034 g/LNA
2062253477888CE(24:1(15Z))Cholesteryl nervonic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes of all 24:1 Cholesterol ester;Cholest-5-en-3beta-yl (15Z-tetracosenoate;Cholest-5-en-3beta-yl (15Z-tetracosenoate);Cholest-5-en-3beta-yl (15Z-tetracosenoic acid;Cholesteryl nervonic acid;Cholesterol 1-nervon735.2591C51H90O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (15Z)-tetracos-15-enoateCCCCCCCCC=C/CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1NANANANA
2062316061341CE(22:4(7Z;10Z;13Z;16Z))Cholesteryl docosatetraenoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes22:4 Cholesterol ester;Cholest-5-en-3beta-yl (7Z;10Z;13Z;16Z-docosatetraenoate;Cholest-5-en-3beta-yl (7Z;10Z;13Z;16Z-docosatetraenoic acid;Cholesteryl docosatetraenoate;Cholesteryl docosatetraenoic ac701.177C49H80O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (7Z;10Z;13Z;16Z)-docosa-7;10;13;16-tetraenoateCCCCCC=C/CC=C/CC=C/CC=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2062453477889CE(20:5(5Z;8Z;11Z;14Z;17Z))Cholesteryl eicosapentaenoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. (3b)-Cholest-5-en-3-ol (5Z;8Z;11Z;14Z;17Z)-5;8;11;14;17-eicosapentaenoate;(3b)-Cholest-5-en-3-ol (5Z;8Z;11Z;14Z;17Z)-5;8;11;14;17-eicosapentaenoic acid;(3b)-Cholest-5-en-3-ol (all-Z)-5;8;11;14;17-ei671.0893C47H74O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadec-7-en-5-yl (5Z;8Z;11Z;14Z;17Z)-icosa-5;8;11;14;17-pentaenoateCCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2062553477890CE(22:6(4Z;7Z;10Z;13Z;16Z;19Z))Cholesteryl docosahexaenoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes 22:6 Cholesterol ester;Cholest-5-en-3beta-yl (4Z;7Z;10Z;13Z;16Z;19Z-docosahexaenoate;Cholest-5-en-3beta-yl (4Z;7Z;10Z;13Z;16Z;19Z-docosahexaenoate);Cholest-5-en-3beta-yl (4Z;7Z;10Z;13Z;16Z;19Z-docosah697.1265C49H76O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (4Z;7Z;10Z;13Z;16Z;19Z)-docosa-4;7;10;13;16;19-hexaenoateCCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2062653477895CE(20:2(6Z;9Z))Cholesteryl eicosadienoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes ofLacCer(D18:1/16:0);N-(Hexadecanoyl)-1-b-lactosyl-sphing-4-enine;1-O-(4-O-b-D-Galactopyranosyl-b-D-glucopyranosyl)-ceramide;1-O-(4-O-beta-D-Galactopyranosyl-beta-glucopyranosyl)ceramide;1-O-(4-O-beta-d677.1369C47H80O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (11Z;14Z)-icosa-11;14-dienoateCCCCCC=C/CC=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2062753477892CE(20:3(8Z;11Z;14Z))Cholesteryl eicosatrienoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. Cholesterol is a sterol (a combination steroid and alcohol) and a lipid found in the cell membranes o20:3 Cholesterol ester;Cholest-5-en-3beta-yl (8Z;11Z;14Z-eicosatrienoate;Cholest-5-en-3beta-yl (8Z;11Z;14Z-eicosatrienoate);Cholest-5-en-3beta-yl (8Z;11Z;14Z-eicosatrienoic acid;Cholesteryl eicosatrie675.121C47H78O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (8Z;11Z;14Z)-icosa-8;11;14-trienoateCCCCCC=C/CC=C/CC=C/CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1NANANANA
2062853477893CE(22:2(13Z;16Z))Cholesteryl docosadienoic acid is a cholesteryl ester. A cholesteryl ester is an ester of cholesterol. Fatty acid esters of cholesterol constitute about two-thirds of the cholesterol in the plasma. 22:2 Cholesterol ester;Cholest-5-en-3beta-yl (13Z;16Z-docosadienoate;Cholest-5-en-3beta-yl (13Z;16Z-docosadienoate);Cholest-5-en-3beta-yl (13Z;16Z-docosadienoic acid;Cholesteryl docosadienoate;Cholest705.1901C49H84O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl (13Z;16Z)-docosa-13;16-dienoateCCCCCC=C/CC=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNANANANA
2062914274981CE(19:0)Cholesteryl nonadecanoic acid is a cholesteryl ester. Cholesteryl ester (CE) is the major transport and storage form of cholesterol in lipoprotein particles and most cell types. Molecular composition of CE species is of high interest for arteriosclerosis research; i.e.; as components of lipoprotein 19:0 Cholesterol ester;19:0 Cholesteryl ester;CE 19:0;Cholest-5-en-3beta-yl nonadecanoate;Nonadecanoylcholesterol;Cholest-5-en-3b-yl nonadecanoate;Cholest-5-en-3b-yl nonadecanoic acid;Cholest-5-en-3be667.1421C46H82O2(1S;2R;5S;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl nonadecanoate[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCCC)[C@H](C)CCCC(C)CNANANANA
2063053477894CE(20:0)CE(20:0) is a cholesterol fatty acid ester or simply a cholesterol ester (CE). Cholesterol esters are cholesterol molecules with long-chain fatty acids linked to the hydroxyl group. They are much less polar than free cholesterol and appear to be the preferred form for transport in plasma and for sto1-Arachidonyl-cholesterol;20:0 Cholesterol ester;CE(20:0/0:0);Cholest-5-en-3b-yl eicosanoate;Cholest-5-en-3b-yl eicosanoic acid;Cholesterol 1-arachidonyl;Cholesterol 1-eicosanoate;Cholesterol 1-eicosa681.1687C47H84O2(2R;5S;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-en-5-yl icosanoateCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)CNA85NANA
20640534815012-Hydroxyestrone-1-S-glutathione2-Hydroxyestrone-1-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens; which also includ2;3-Dihydroxy-1;3;5[10]-estratriene-17-one-1-S-glutathione;(2R)-2-Amino-4-{[(1S)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptade591.673C28H37N3O9S(2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-3-yl]sulfanyl}ethyl]carbamoyl}butanoic acidC[C@]12CCC3C(CCC4=C3C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)=C(O)C(O)=C4)C1CCC2=ONANANANA
20641534815022-Hydroxyestrone-4-S-glutathione2-Hydroxyestrone-4-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens; which also includ2;3-Dihydroxy-1;3;5[10]-estratriene-17-one-4-S-glutathione;(2R)-2-Amino-4-{[(1S)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptade591.673C28H37N3O9S(2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-4;5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-6-yl]sulfanyl}ethyl]carbamoyl}butanoic acidC[C@]12CCC3C(CCC4=C3C=C(O)C(O)=C4SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C1CCC2=ONANANANA
20643534815214-Hydroxyestrone-2-S-glutathione4-Hydroxyestrone-2-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens; which also includ3;4-Dihydroxy-1;3;5[10]-estratriene-17-one-2-S-glutathione;(2R)-2-Amino-4-{[(1S)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(15S)-5;6-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptade591.673C28H37N3O9S(2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-5;6-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-4-yl]sulfanyl}ethyl]carbamoyl}butanoic acidC[C@]12CCC3C(CCC4=C3C=C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=C4O)C1CCC2=ONANANANA
2064932470604b-Hydroxycholesterol4b-Hydroxycholesterol; also known as cholest-5-en-3b;4b-diol; belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus; 4b-hydroxycholesterol is considered to be a sterol lipid molecu(3beta;4beta)-Cholest-5-ene-3;4-diol;Cholest-5-en-3beta;4beta-diol;(3b;4b)-Cholest-5-ene-3;4-diol;(3Β;4β)-cholest-5-ene-3;4-diol;Cholest-5-en-3b;4b-diol;Cholest-5-en-3β;4β-diol;(4b)-Cholest-5-ene-3b;4402.6529C27H46O2(1S;2R;5S;6R;10S;11S;14R;15R)-2;15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-7-ene-5;6-diol[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CNANANANA
206523372FluphenazineFluphenazine is only found in individuals that have used or taken this drug. It is a phenothiazine used in the treatment of psychoses. Its properties and uses are generally similar to those of chlorpromazine. [PubChem]Fluphenazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in th1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine;10-(3'-(4''-(beta-Hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine;10-(3-(2-Hydroxyethyl)piperazinopr437.522C22H26F3N3OS2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-olOCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1NA250.019 g/LNA
2065784088HydrocortamateHydrocortamate is a synthetic glucocorticoid used for its anti-inflammatory or immunosuppressive properties to treat inflammation due to corticosteroid-responsive dermatoses. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a 17-Hydroxycorticosterone; 21-(diethylamino)acetate;Hidrocortamato;Hydrocortamatum;17-Hydroxycorticosterone; 21-(diethylamino)acetic acid;Hydrocortamic acid;17-Hydroxycorticosterone; 21-(diethylamino)a475.6175C27H41NO62-[(1S;2R;10S;11S;14R;15S;17S)-14;17-dihydroxy-2;15-dimethyl-5-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadec-6-en-14-yl]-2-oxoethyl 2-(diethylamino)acetate[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CNANA0.086 g/LNA
206585566TrifluoperazineTrifluoperazine is only found in individuals that have used or taken this drug. It is a phenothiazine with actions similar to chlorpromazine. It is used as an antipsychotic and an antiemetic. [PubChem]Trifluoperazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depre10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine;10-[3-(4-METHYL-piperazin-1-yl)-propyl]-2-trifluoromethyl-10H-phenothiazine;Trifluoperazina;Trifluoperazinum;Trifluoromethyl407.496C21H24F3N3S10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazineCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1NANA0.0088 g/LNA
2066025137957CarphenazineCarphenazine is only found in individuals that have used or taken this drug. It is an antipsychotic drug; used in hospitalized patients in the management of chronic schizophrenic psychoses.A yellow; powdered; phenothiazine antipsychotic agent used in the treatment of acute or chronic schizophrenia. 1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone;Carfenazina;Carfenazine;Carfenazinum;Carphenazin;1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1411.56C23H29N3O2S1-(10-{2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl}-10H-phenothiazin-2-yl)propan-1-oneCCC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCN2CCN(CCO)CC2)C=C1NANA0.09 g/LNA
2066117676AcetophenazineAcetophenazine is only found in individuals that have used or taken this drug.It is an antipsychotic drug of moderate-potency. It is used in the treatment of disorganized and psychotic thinking. It is also used to help treat false perceptions (e.g. hallucinations or delusions).Acetophenazine blocks Tindal;Acetophenazine; (Z)-2-maleate (1:2) salt;Acetophenazine; ion (1+);Acetophenazine maleate;Tindal;Acetophenazine; (Z)-2-maleate (1:2) salt;Acetophenazine; ion (1+);Acetophenazine maleate;Acetophe411.56C23H29N3O2S1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethan-1-oneCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1NANA0.06 g/LP10275
20665131751296Nb-trans-p-Coumaroylserotonin glucosideNb-trans-p-Coumaroylserotonin glucoside is found in fats and oils. It is an alkaloid from Carthamus tinctorius (safflower) If neurons that make serotonin serotonergic neurons are abnormal in infants; there is a risk of sudden infant death syndrome (SIDS). Low levels of serotonin may also be associat5-Hydroxytryptamine;(2E)-3-(4-Hydroxyphenyl)-N-[2-(5-{[3;4;5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enimidate;5-Hydroxytryptamine;(2E)-3-(4-Hydroxyphenyl)-N-[2-(5-{[3;4;484.4984C25H28N2O8(2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3;4;5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamideOCC1OC(OC2=CC3=C(NC=C3CCNC(=O)C=CC3=CC=C(O)C=C3)C=C2)C(O)C(O)C1ONA240NANA
20682NALysoPA(0:0/16:0)LysoPA(0:0/16:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty2-Palmitoyl-glycero-3-phosphate; LPA(0:0/16:0); Lysophosphatidic acid(0:0/16:0); LPA(16:0); 2-Hexadecanoyl-phosphatidic acid; 2-Hexadecanoyl-glycero-3-phosphate; Lysophosphatidic acid(16:0); [2-(Hexad410.4825C19H39O7P[2-(hexadecanoyloxy)-3-hydroxypropoxy]phosphonic acidCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=ONANANANA
20685NACalcidiolCalcidiol; also known as 25(OH)D3 or rayaldee; belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone; usually secoergostane or secocholestane. Thus; calcidiol is considered to be a secosteroid lipid mol(3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-3;25-diolChEBI(3S;5Z;7E)-9;10-Secocholesta-5;7;10-triene-3;25-diolChEBI(5Z;7E)-(3S)-9;10-Secocholesta-5;7;10(19)-triene-3;25-diolChEBI25(OH)D3ChEBI25-400.6371C27H44O2(1S;3Z)-3-{2-[(1R;3aS;4E;7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-olC[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=CNANANANA
20686NACalcitriolCalcitriol; also known as rocaltrol or 1a;25(OH)2D3; belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone; usually secoergostane or secocholestane. Thus; calcitriol is considered to be a secosteroid li(1alpha;3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-1;3;25-triolChEBI(1S;3R;5Z;7E)-9;10-Secocholesta-5;7;10-triene-1;3;25-triolChEBI(5Z;7E)-(1S;3R)-9;10-Secocholesta-5;7;10(19)-triene-1;3;25-trio416.6365C27H44O3(1R;3S;5Z)-5-{2-[(1R;3aS;4E;7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1;3-diolC[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=CNA113NANA
20722NALeukotriene C4Leukotriene C4 (LTC4) is a cysteinyl leukotriene (CysLT); a family of potent inflammatory mediators. Eosinophils; one of the principal cell types recruited to and activated at sites of allergic inflammation; is capable of elaborating lipid mediators; including leukotrienes derived from the oxidative(R-(R*;s*-(e;e;Z;Z)))-N-(S-(1-(4-carboxy-1-hydroxybutyl)-2;4;6;9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycineChEBI5S;6R-LTC(Sub 4)ChEBI5S-Hydroxy;6R-(S-glutathionyl);7E;9E;11Z;14Z-eicosa625.774NA(5S;6R;7E;9E;11Z;14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7;9;11;14-tetraenoic acidCCCCCC=C/CC=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=ONANANANA
20723NALeukotriene D4Leukotriene D4 (LTD4) is a cysteinyl leukotriene. Cysteinyl leukotrienes (CysLTs) are a family of potent inflammatory mediators that appear to contribute to the pathophysiologic features of allergic rhinitis. (R-(R*;s*-(e;e;Z;Z)))-N-(S-(1-(4-carboxy-1-hydroxybutyl)-2;4;6;9-pentadecatetraenyl)-L-cysteinyl)glycineChEBI5S-Hydroxy-6R-(S-cysteinylglycinyl)-7E;9E;11E;14Z-eicosatetraenoic acidChEBILTD4ChEBI5S-Hyd496.66NA(5S;6R;7E;9E;11Z;14Z)-6-{[(2R)-2-amino-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7;9;11;14-tetraenoic acidCCCCCC=C/CC=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=ONANANANA
20724NALeukotriene E4Leukotriene E4 (LTE4) is a cysteinyl leukotriene. Cysteinyl leukotrienes (CysLTs) are a family of potent inflammatory mediators that appear to contribute to the pathophysiologic features of allergic rhinitis. Nasal blockage induced by CysLTs is mainly due to dilatation of nasal blood vessels; which (5S-(5R*;6S*(s*);7E;9E;11Z;14Z))-6-((2-amino-2-carboxyethyl)thio)-5-hydroxy-7;9;11;14-eicosatetraenoic acidChEBI(7E;9E;11Z;14Z)-(5S;6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7;9;11;14-tetraenoateChEBI(7E;9439.61NA(5S;6R;7E;9E;11Z;14Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7;9;11;14-tetraenoic acidCCCCCC=C/CC=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=ONANANANA
20746NALiothyronineLiothyronine is a T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone that is finally deliver3;5;3'-Triiodo-L-thyronineChEBI3;5;3'-TriiodothyronineChEBI3;5;3'TRIIODOTHYRONINEChEBI4-(4-Hydroxy-3-iodophenoxy)-3;5-diiodo-L-phenylalanineChEBIL-3;5;3'-TriiodothyronineChEBIL-T3ChEBILiothyroninumChE650.9735NA(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3;5-diiodophenyl]propanoic acidN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=ONANANANA
20747NAThyroxineThyroxine or T4 is one of two major hormones derived from the thyroid gland; the other being triiodothyronine (T3). The major form of thyroid hormone in the blood is thyroxine (T4); which has a longer half-life than T3. In humans; the ratio of T4 to T3 released into the blood is approximately 14:1.3;3';5;5'-Tetraiodo-L-thyronineChEBI3;5;3';5'-TETRAIODO-L-thyronineChEBI4-(4-Hydroxy-3;5-diiodophenoxy)-3;5-diiodo-L-phenylalanineChEBIL-T4ChEBILevothyroxinChEBILevothyroxineChEBILT4ChEBIO-(4-Hydroxy-776.87NA(2S)-2-amino-3-[4-(4-hydroxy-3;5-diiodophenoxy)-3;5-diiodophenyl]propanoic acidN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=ONA235.5NANA
20749NACalcitriolCalcitriol; also known as rocaltrol or 1a;25(OH)2D3; belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone; usually secoergostane or secocholestane. Thus; calcitriol is considered to be a secosteroid li(1alpha;3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-1;3;25-triolChEBI(1S;3R;5Z;7E)-9;10-Secocholesta-5;7;10-triene-1;3;25-triolChEBI(5Z;7E)-(1S;3R)-9;10-Secocholesta-5;7;10(19)-triene-1;3;25-trio416.6365NA(1R;3S;5Z)-5-{2-[(1R;3aS;4E;7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1;3-diolC[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=CNA113NANA
20750NAAlfacalcidolAlfacalcidol is an active metabolite of Vitamin D; which performs important functions in regulation of the calcium balance and the bone metabolism. Alfacalcidol is Vitamin D-hormone analog which is activated by the enzyme 25-hydroxylase in the liver for systemic and in osteoblasts for local D-hormon(5Z;7E)-9;10-Seco-5;7;10(19)-cholestatrien-1alpha;3beta-diolChEBI1alpha-Hydroxy-vitamin D3ChEBI1alpha-HydroxycholecalciferolChEBI1alpha-Hydroxyvitamin D3ChEBI9;10-Secocholesta-5;7;10(19)-triene-1alpha400.6371NA(1R;3S;5Z)-5-{2-[(1R;3aS;4E;7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1;3-diolCC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=CNA1360.0016 g/LNA
20752NABrassinolideBrassinolide belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one. Thus, brassinolide is considered to be a sterol.24-Epibrassinolide; 2,3,22,23-Tetrahydroxy-24-methyl-b-homo-7-oxacholestan-6-one; 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-b-homo-7-oxa-5alpha-cholestan-6-one; Brassinolide480.6771C28H48O6(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one[H][C@@]12CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])COC(=O)[C@@]2([H])C[C@H](O)[C@H](O)C[C@]12CNA2740.034 g/LNA