Detailed description page of Hmrbase2

This page displays user query in tabular form.

20749 details
Primary information
ID20749
Pubchem IDNA
NameCalcitriol
DescriptionCalcitriol; 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
Synonym(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-trio
Molecular Weight416.6365
FormulaNA
IUPAC(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-diol
SMILEC[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=C
PDB IDNA
KEGGC01673
HMDB IDHMDB0001903
Melting Point (Degree C)113
Water SolubilityNA
Drugbank IDDB00136
ReceptorNA
ReferenceHMDB