Detailed description page of Hmrbase2

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20522 details
Primary information
ID20522
Pubchem ID12918533
NameCalcitroic acid
DescriptionCalcitroic acid (1 alpha-hydroxy-23 carboxy-24;25;26;27-tetranorvitamin D(3)) is a metabolite of 1 alpha; 25-dihydroxyvitamin D(3) (calcitriol). It is soluble in water; and is excreted in urine. This deactivation process involves a series of oxidation reactions at C24 and C23 leading to side-chain c
SynonymCalcitroate;(3R)-3-[(1R;3AR;4E;7ar)- 4-[(2Z)-2-[(3R;5R)-3;5- dihydroxy-2-methylene-cyclohexylidene]ethylidene] -7a-methyl-2;3;3a;5;6;7-hexahydro-1H -inden-1-yl]butanoate;(3R)-3-[(1R;3AR;4E;7ar)- 4-[(2
Molecular Weight374.5137
FormulaC23H34O4
IUPAC(3R)-3-[(1R;3aS;4E;7aR)-4-{2-[(1E;3S;5R)-3;5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]butanoic acid
SMILE[H][C@@]12CC[C@H]([C@H](C)CC(O)=O)[C@@]1(C)CCCC2=C/C=C1C[C@@H](O)C[C@H](O)C1=C
PDB IDNA
KEGGNA
HMDB IDHMDB0006472
Melting Point (Degree C)NA
Water SolubilityNA
Drugbank IDNA
ReceptorNA
ReferenceHMDB