CHEBI:28477 - 7α,12α-dihydroxycholest-4-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7α,12α-dihydroxycholest-4-en-3-one
ChEBI ID CHEBI:28477
ChEBI ASCII Name 7alpha,12alpha-dihydroxycholest-4-en-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2289, CHEBI:20797
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.329
InChI InChI=1S/C27H44O3/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/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey UQPYXHJTHPHOMM-NIBOIBLTSA-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)CCCC(C)C
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) 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-dihydroxycholest-4-en-3-one (CHEBI:28477) has role human metabolite (CHEBI:77746)
7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) has role mouse metabolite (CHEBI:75771)
7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 12α-hydroxy steroid (CHEBI:36846)
7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 3-oxo steroid (CHEBI:47788)
7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 7α-hydroxy steroid (CHEBI:36843)
7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a cholestanoid (CHEBI:50401)
IUPAC Name
7α,12α-dihydroxycholest-4-en-3-one
Synonyms Sources
4-cholesten-7α,12α-diol-3-one ChEBI
7alpha,12alpha-Dihydroxy-4-cholesten-3-one KEGG COMPOUND
7alpha,12alpha-Dihydroxycholest-4-en-3-one KEGG COMPOUND
7α,12α-dihydroxycholest-4-en-3-one UniProt
Database Links Databases
C05457 KEGG COMPOUND
C17339 KEGG COMPOUND
LMST04030114 LIPID MAPS
View more database links
Registry Number Type Source
1254-03-1 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016