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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-cholestane-3α,7α,26-triol
ChEBI ID CHEBI:28540
ChEBI ASCII Name 5beta-cholestane-3alpha,7alpha,26-triol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20226, CHEBI:1702
Supplier Information
Download Molfile XML SDF
Formula C27H48O3
Net Charge 0
Average Mass 420.66822
Monoisotopic Mass 420.360
InChI InChI=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
InChIKey OQIJRBFRXGIHMI-UGMUFZQESA-N
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@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)CO
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).
bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3alpha,7alpha,26-Trihydroxy-5beta-cholestane KEGG COMPOUND
3alpha,7alpha,26-trihydroxy-5beta-cholestane ChEBI
5β-cholestan-3α,7α,26-triol ChEBI
5beta-Cholestane-3alpha,7alpha,26-triol KEGG COMPOUND
5beta-cholestane-3alpha,7alpha,26-triol ChEBI
Cholestane-3,7,26-triol ChemIDplus
Database Links Databases
C05444 KEGG COMPOUND
LMST04030020 LIPID MAPS
View more database links
Registry Number Type Source
15313-69-6 CAS Registry Number ChemIDplus
Last Modified
27 January 2016