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CHEBI:63830 - (24S)-7α,12α,24-trihydroxy-5β-cholestan-3-one

ChEBI IDCHEBI:63830
ChEBI Name(24S)-7α,12α,24-trihydroxy-5β-cholestan-3-one
Stars
ASCII Name(24S)-7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one
Definition7α,12α,24-Trihydroxy-5β-cholestan-3-one with S-configuration at C-24.
Last Modified6 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@@]12CC(=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/C27H46O4/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/h15-17,19-25,29-31H,6-14H2,1-5H3/t16-,17+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyOESDJUYDQFBVDE-ZFUXDIRQSA-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)-7α,12α,24-trihydroxy-5β-cholestan-3-one (CHEBI:63830) is a 7α,12α,24-trihydroxy-5β-cholestan-3-one (CHEBI:48715)
IUPAC Name 
(24S)-7α,12α,24-trihydroxy-5β-cholestan-3-one
Synonym  Source
5β-cholestan-7α,12α,24(S)-triol-3-oneChEBI