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CHEBI:17278 - 5β-cholestane-3α,7α,12α,26-tetrol

ChEBI IDCHEBI:17278
ChEBI Name5β-cholestane-3α,7α,12α,26-tetrol
Stars
ASCII Name5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol
Secondary ChEBI IDsCHEBI:1692, CHEBI:12178, CHEBI:20666
Last Modified27 January 2016
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
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)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyXJZGNVBLVFOSKJ-XZULNKEGSA-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,26-tetrol (CHEBI:17278) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278) has role human metabolite (CHEBI:77746)
5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278) has role mouse metabolite (CHEBI:75771)
5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278) is a 12α-hydroxy steroid (CHEBI:36846)
5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278) is a 26-hydroxy steroid (CHEBI:36852)
5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278) is a 3α-hydroxy steroid (CHEBI:36835)
5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278) is a 7α-hydroxy steroid (CHEBI:36843)
Incoming Relation(s)
(25R)-5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:48939) is a 5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278)
(25S)-5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:48938) is a 5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278)
IUPAC Name 
5β-cholestane-3α,7α,12α,26-tetrol
Synonyms  Source
3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestaneKEGG COMPOUND
5beta-cholestane-3alpha,7alpha,12alpha,26-tetraolChEBI
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraolKEGG COMPOUND
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrolKEGG COMPOUND
cholestane-3,7,12,26-tetrolChemIDplus
5β-cholestane 3α,7α,12α,27-tetrolChemIDplus
UniProt Name  Source
5β-cholestane-3α,7α,12α,26-tetrolUniProt
Manual XrefsDatabases
C05446KEGG COMPOUND
LMST04030014LIPID MAPS
Registry NumbersSources
Beilstein:6225599Beilstein
CAS:862-53-3ChemIDplus
CAS:862-53-3KEGG COMPOUND