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

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ChEBI Name 5β-cholestane-3α,7α,12α,26-tetrol
ChEBI ID CHEBI:17278
ChEBI ASCII Name 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12178, CHEBI:1692, CHEBI:20666
Supplier Information
Download Molfile XML SDF
Formula C27H48O4
Net Charge 0
Average Mass 436.66762
Monoisotopic Mass 436.35526
InChI InChI=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
InChIKey XJZGNVBLVFOSKJ-XZULNKEGSA-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)CO
Metabolite of Species Details
Mus musculus (NCBI:txidtxid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txidtxid9606) 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,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 (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 Sources
(3α,5β,7α,12α)-cholestane-3,7,12,26-tetrol ChemIDplus
3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane KEGG COMPOUND
5β-cholestane 3α,7α,12α,27-tetrol ChemIDplus
5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol ChEBI
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol KEGG COMPOUND
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol KEGG COMPOUND
5β-cholestane-3α,7α,12α,26-tetrol UniProt
cholestane-3,7,12,26(27)-tetrol ChemIDplus
cholestane-3,7,12,26-tetrol ChemIDplus
cholestane-3,7,12,27-tetrol ChemIDplus
Manual Xrefs Databases
C05446 KEGG COMPOUND
LMST04030014 LIPID MAPS
View more database links
Registry Numbers Types Sources
6225599 Beilstein Registry Number Beilstein
862-53-3 CAS Registry Number ChemIDplus
Last Modified
27 January 2016