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CHEBI:63839 - (24S)-7α,12α,24-trihydroxycholest-4-en-3-one

ChEBI IDCHEBI:63839
ChEBI Name(24S)-7α,12α,24-trihydroxycholest-4-en-3-one
Stars
ASCII Name(24S)-7alpha,12alpha,24-trihydroxycholest-4-en-3-one
Definition7α,12α,24-trihydroxycholest-4-en-3-one with S-configuration at C-24.
Last Modified7 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@H](O)C(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C27H44O4/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/h12,15-16,19-25,29-31H,6-11,13-14H2,1-5H3/t16-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyJZKUXZQOULZTIJ-SNRWSJROSA-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-trihydroxycholest-4-en-3-one (CHEBI:63839) is a 7α,12α,24-trihydroxycholest-4-en-3-one (CHEBI:48714)
IUPAC Name 
(24S)-7α,12α,24-trihydroxycholest-4-en-3-one
Synonym  Source
4-cholesten-7α,12α,24(S)-triol-3-oneIUPAC