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

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ChEBI Name (24S)-7α,12α,24-trihydroxy-5β-cholestan-3-one
ChEBI ID CHEBI:63830
ChEBI ASCII Name (24S)-7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one
Definition 7α,12α,24-Trihydroxy-5β-cholestan-3-one with S-configuration at C-24.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H46O4
Net Charge 0
Average Mass 434.65170
Monoisotopic Mass 434.33961
InChI InChI=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
InChIKey OESDJUYDQFBVDE-ZFUXDIRQSA-N
SMILES [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CC[C@H](O)C(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2
Roles Classification
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
(via 7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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-one ChEBI
Last Modified
06 February 2012