CHEBI:2288 - 7α,12α-dihydroxy-5β-cholestan-3-one

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ChEBI Name 7α,12α-dihydroxy-5β-cholestan-3-one
ChEBI ID CHEBI:2288
ChEBI ASCII Name 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one
Definition A 3-oxo-5β-steroid that is 5β-cholestan-3-one bearing two additional hydroxy substituents at positions 7α and 12α.
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)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey HHVQPBXBALLUDF-QORHGLQKSA-N
SMILES [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) has parent hydride 5β-cholestane (CHEBI:35517)
7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) has role human metabolite (CHEBI:77746)
7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) has role mouse metabolite (CHEBI:75771)
7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) is a 12α-hydroxy steroid (CHEBI:36846)
7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) is a 3-oxo-5β-steroid (CHEBI:1624)
7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name
7α,12α-dihydroxy-5β-cholestan-3-one
Synonyms Sources
5β-cholestane-7α,12α-diol-3-one MetaCyc
5beta-Cholesten-7alpha,12alpha-diol-3-one KEGG COMPOUND
7α,12α-dihydroxy-5β-cholestan-3-one UniProt
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one KEGG COMPOUND
Manual Xrefs Databases
C05453 KEGG COMPOUND
CPD-10503 MetaCyc
HMDB0006887 HMDB
LMST04030113 LIPID MAPS
View more database links
Registry Numbers Types Sources
3163548 Beilstein Registry Number Beilstein
3163548 Reaxys Registry Number Reaxys
Last Modified
26 April 2017