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CHEBI:63834 - (24S)-5β-cholestane-3α,7α,12α,24-tetrol

ChEBI IDCHEBI:63834
ChEBI Name(24S)-5β-cholestane-3α,7α,12α,24-tetrol
Stars
ASCII Name(24S)-5beta-cholestane-3alpha,7alpha,12alpha,24-tetrol
Definition5β-Cholestane-3α,7α,12α,24-tetrol with S-configuration at C-24.
Last Modified6 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[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/C27H48O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyDOMPIYLJQFTRGI-HVKOMRDASA-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,12α,24-tetrol (CHEBI:63834) is a 5β-cholestane-3α,7α,12α,24-tetrol (CHEBI:48728)
IUPAC Name 
(24S)-5β-cholestane-3α,7α,12α,24-tetrol
Synonym  Source
5β-cholestan-3α,7α,12α,24(S)-tetrolIUPAC