CHEBI:48698 - 7α,24-dihydroxy-5β-cholestan-3-one

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ChEBI Name 7α,24-dihydroxy-5β-cholestan-3-one
ChEBI ID CHEBI:48698
ChEBI ASCII Name 7alpha,24-dihydroxy-5beta-cholestan-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O3
Net Charge 0
Average Mass 418.65234
Monoisotopic Mass 418.34470
InChI InChI=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
InChIKey FGKQZAUZOBFLBY-YUOMIZQASA-N
SMILES [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)C(C)C)[C@@]4(C)CC[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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698) has parent hydride 5β-cholestane (CHEBI:35517)
7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698) has role bile acid metabolite (CHEBI:48887)
7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698) is a 24-hydroxy steroid (CHEBI:36865)
7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698) is a 3-oxo-5β-steroid (CHEBI:1624)
7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698) is a 7α-hydroxy steroid (CHEBI:36843)
Incoming (24S)-7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:63829) is a 7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698)
IUPAC Name
7α,24α-dihydroxy-5β-cholestan-3-one
Synonym Source
5β-cholestan-7α,24-diol-3-one ChEBI
Last Modified
26 April 2017