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

ChEBI IDCHEBI:16496
ChEBI Name5β-cholestane-3α,7α,12α-triol
Stars
ASCII Name5beta-cholestane-3alpha,7alpha,12alpha-triol
Secondary ChEBI IDsCHEBI:1697, CHEBI:12179, CHEBI:20221, CHEBI:20667, CHEBI:28597, CHEBI:57793
Last Modified19 October 2017
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
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@H](C)CCCC(C)C)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyRIVQQZVHIVNQFH-XJZYBRFWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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  Source
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestaneKEGG COMPOUND
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestaneChEBI
5beta-cholestane-3alpha,7alpha,12alpha-triolChEBI
3alpha,7alpha,12alpha-trihydroxycoprostaneChEBI
3alpha,7alpha,12alpha-TrihydroxycoprostaneKEGG COMPOUND
5beta-Cholestane-3alpha,7alpha,12alpha-triolKEGG COMPOUND
UniProt Name  Source
5β-cholestane-3α,7α,12α-triolUniProt
Manual XrefsDatabases
C05454KEGG COMPOUND
C05454KEGG COMPOUND
LMST04030035LIPID MAPS
Registry NumbersSources
CAS:547-96-6KEGG COMPOUND