CHEBI:28047 - 5β-cholestane-3α,7α-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-cholestane-3α,7α-diol
ChEBI ID CHEBI:28047
ChEBI ASCII Name 5beta-cholestane-3alpha,7alpha-diol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1708, CHEBI:20233
Supplier Information
Download Molfile XML SDF
Formula C27H48O2
Net Charge 0
Average Mass 404.66882
Monoisotopic Mass 404.365
InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey APYVEUGLZHAHDJ-TVRYRFOISA-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)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) 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-diol (CHEBI:28047) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α-diol (CHEBI:28047) has role human metabolite (CHEBI:77746)
5β-cholestane-3α,7α-diol (CHEBI:28047) has role mouse metabolite (CHEBI:75771)
5β-cholestane-3α,7α-diol (CHEBI:28047) is a 3α-hydroxy steroid (CHEBI:36835)
5β-cholestane-3α,7α-diol (CHEBI:28047) is a 7α-hydroxy steroid (CHEBI:36843)
Synonyms Sources
3alpha,7alpha-dihydroxy-5beta-cholestane ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestane KEGG COMPOUND
5beta-Cholestane-3alpha,7alpha-diol KEGG COMPOUND
5β-cholestane-3α,7α-diol ChEBI
5β-cholestane-3α,7α-diol UniProt
Dihydroxycoprostane ChemIDplus
Database Links Databases
C05452 KEGG COMPOUND
LMST04030109 LIPID MAPS
View more database links
Registry Number Type Source
3862-26-8 CAS Registry Number ChemIDplus
Last Modified
27 January 2016