CHEBI:16496 - 5β-cholestane-3α,7α,12α-triol

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ChEBI Name 5β-cholestane-3α,7α,12α-triol
ChEBI ID CHEBI:16496
ChEBI ASCII Name 5beta-cholestane-3alpha,7alpha,12alpha-triol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1697, CHEBI:12179, CHEBI:28597, CHEBI:20667, CHEBI:20221, CHEBI:57793
Supplier Information
Download Molfile XML SDF
Formula C27H48O3
Net Charge 0
Average Mass 420.66822
Monoisotopic Mass 420.360
InChI InChI=1S/C27H48O3/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/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RIVQQZVHIVNQFH-XJZYBRFWSA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[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 5β-cholestane-3α,7α,12α-triol (CHEBI:16496) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α-triol (CHEBI:16496) has role human metabolite (CHEBI:77746)
5β-cholestane-3α,7α,12α-triol (CHEBI:16496) has role mouse metabolite (CHEBI:75771)
5β-cholestane-3α,7α,12α-triol (CHEBI:16496) is a 12α-hydroxy steroid (CHEBI:36846)
5β-cholestane-3α,7α,12α-triol (CHEBI:16496) is a 3α-hydroxy steroid (CHEBI:36835)
5β-cholestane-3α,7α,12α-triol (CHEBI:16496) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name
5β-cholestane-3α,7α,12α-triol
Synonyms Sources
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestane ChEBI
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane KEGG COMPOUND
3alpha,7alpha,12alpha-trihydroxycoprostane ChEBI
3alpha,7alpha,12alpha-Trihydroxycoprostane KEGG COMPOUND
5β-cholestane-3α,7α,12α-triol UniProt
5beta-cholestane-3alpha,7alpha,12alpha-triol ChEBI
5beta-Cholestane-3alpha,7alpha,12alpha-triol KEGG COMPOUND
Database Links Databases
C05454 KEGG COMPOUND
LMST04030035 LIPID MAPS
View more database links
Registry Number Type Source
547-96-6 CAS Registry Number KEGG COMPOUND
Last Modified
19 October 2017