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CHEBI:63831 - (24S)-5β-cholestane-3α,7α,24-triol

ChEBI IDCHEBI:63831
ChEBI Name(24S)-5β-cholestane-3α,7α,24-triol
Stars
ASCII Name(24S)-5beta-cholestane-3alpha,7alpha,24-triol
Definition5β-Cholestane-3α,7α,24-triol with S-configuration at C-24.
Last Modified5 November 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC[C@H](O)C(C)C)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyVDKSIHRRZLCAGD-HQDRACASSA-N
Roles Classification
Biological Role:
bile acid metabolite  Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
ChEBI Ontology
Outgoing Relation(s)
(24S)-5β-cholestane-3α,7α,24-triol (CHEBI:63831) is a 5β-cholestane-3α,7α,24-triol (CHEBI:48700)
IUPAC Name 
(24S)-5β-cholestane-3α,7α,24-triol
Synonym  Source
5β-cholestan-3α,7α,24(S)-triolChEBI
UniProt Name  Source
(24S)-5β-cholestane-3α,7α,24-triolUniProt