CHEBI:48834 - 7α,12α,26-trihydroxy-5β-cholestan-3-one

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ChEBI Name 7α,12α,26-trihydroxy-5β-cholestan-3-one
ChEBI ID CHEBI:48834
ChEBI ASCII Name 7alpha,12alpha,26-trihydroxy-5beta-cholestan-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O4
Net Charge 0
Average Mass 434.65174
Monoisotopic Mass 434.33961
InChI InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey UCVRZTRGVBWBPR-SSGCBCEYSA-N
SMILES [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)CO)[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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α,12α,26-trihydroxy-5β-cholestan-3-one (CHEBI:48834) has parent hydride 5β-cholestane (CHEBI:35517)
7α,12α,26-trihydroxy-5β-cholestan-3-one (CHEBI:48834) has role bile acid metabolite (CHEBI:48887)
7α,12α,26-trihydroxy-5β-cholestan-3-one (CHEBI:48834) is a 12α-hydroxy steroid (CHEBI:36846)
7α,12α,26-trihydroxy-5β-cholestan-3-one (CHEBI:48834) is a 26-hydroxy steroid (CHEBI:36852)
7α,12α,26-trihydroxy-5β-cholestan-3-one (CHEBI:48834) is a 3-oxo-5β-steroid (CHEBI:1624)
7α,12α,26-trihydroxy-5β-cholestan-3-one (CHEBI:48834) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name
7α,12α,26-trihydroxy-5β-cholestan-3-one
Synonyms Sources
5β-cholestan-7α,12α,26-triol-3-one ChEBI
7,12,26-Tohco ChemIDplus
Manual Xref Database
LMST04030100 LIPID MAPS
View more database links
Registry Numbers Types Sources
5624655 Beilstein Registry Number Beilstein
78094-12-9 CAS Registry Number ChemIDplus
Last Modified
26 April 2017