CHEBI:48714 - 7α,12α,24-trihydroxycholest-4-en-3-one

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ChEBI Name 7α,12α,24-trihydroxycholest-4-en-3-one
ChEBI ID CHEBI:48714
ChEBI ASCII Name 7alpha,12alpha,24-trihydroxycholest-4-en-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O4
Net Charge 0
Average Mass 432.63586
Monoisotopic Mass 432.32396
InChI InChI=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
InChIKey JZKUXZQOULZTIJ-GZQVFMGISA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(C)C
Roles Classification
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α,12α,24-trihydroxycholest-4-en-3-one (CHEBI:48714) has role bile acid metabolite (CHEBI:48887)
7α,12α,24-trihydroxycholest-4-en-3-one (CHEBI:48714) is a 12α-hydroxy steroid (CHEBI:36846)
7α,12α,24-trihydroxycholest-4-en-3-one (CHEBI:48714) is a 24-hydroxy steroid (CHEBI:36865)
7α,12α,24-trihydroxycholest-4-en-3-one (CHEBI:48714) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α,12α,24-trihydroxycholest-4-en-3-one (CHEBI:48714) is a 7α-hydroxy steroid (CHEBI:36843)
Incoming (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
7α,12α,24-trihydroxycholest-4-en-3-one
Synonym Source
4-cholesten-7α,12α,24-triol-3-one ChEBI
Last Modified
04 May 2017