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CHEBI:63829 - (24S)-7α,24-dihydroxy-5β-cholestan-3-one

ChEBI IDCHEBI:63829
ChEBI Name(24S)-7α,24-dihydroxy-5β-cholestan-3-one
Stars
ASCII Name(24S)-7alpha,24-dihydroxy-5beta-cholestan-3-one
Definition7α,24-Dihydroxy-5β-cholestan-3-one with S configuration at C-24.
Last Modified6 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@@]12CC(=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/C27H46O3/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/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyFGKQZAUZOBFLBY-SYDAVTRCSA-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,24-dihydroxy-5β-cholestan-3-one (CHEBI:63829) is a 7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698)
IUPAC Name 
(24S)-7α,24-dihydroxy-5β-cholestan-3-one
Synonym  Source
5β-cholestan-7α,24(S)-diol-3-oneChEBI