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CHEBI:28540 - 5β-cholestane-3α,7α,26-triol

ChEBI IDCHEBI:28540
ChEBI Name5β-cholestane-3α,7α,26-triol
Stars
ASCII Name5beta-cholestane-3alpha,7alpha,26-triol
Secondary ChEBI IDsCHEBI:1702, CHEBI:20226
Last Modified27 January 2016
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKeyOQIJRBFRXGIHMI-UGMUFZQESA-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:
bile acid metabolite  Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
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,26-triol (CHEBI:28540) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,26-triol (CHEBI:28540) has role bile acid metabolite (CHEBI:48887)
5β-cholestane-3α,7α,26-triol (CHEBI:28540) has role human metabolite (CHEBI:77746)
5β-cholestane-3α,7α,26-triol (CHEBI:28540) has role mouse metabolite (CHEBI:75771)
5β-cholestane-3α,7α,26-triol (CHEBI:28540) is a 26-hydroxy steroid (CHEBI:36852)
5β-cholestane-3α,7α,26-triol (CHEBI:28540) is a 3α-hydroxy steroid (CHEBI:36835)
5β-cholestane-3α,7α,26-triol (CHEBI:28540) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name 
5β-cholestane-3α,7α,26-triol
Synonyms  Source
3alpha,7alpha,26-Trihydroxy-5beta-cholestaneKEGG COMPOUND
5beta-Cholestane-3alpha,7alpha,26-triolKEGG COMPOUND
3alpha,7alpha,26-trihydroxy-5beta-cholestaneChEBI
5beta-cholestane-3alpha,7alpha,26-triolChEBI
Cholestane-3,7,26-triolChemIDplus
5β-cholestan-3α,7α,26-triolChEBI
Manual XrefsDatabases
C05444KEGG COMPOUND
C05444KEGG COMPOUND
LMST04030020LIPID MAPS
Registry NumbersSources
CAS:15313-69-6ChemIDplus