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

ChEBI IDCHEBI:28047
ChEBI Name5β-cholestane-3α,7α-diol
Stars
ASCII Name5beta-cholestane-3alpha,7alpha-diol
Secondary ChEBI IDsCHEBI:1708, CHEBI:20233
Last Modified27 January 2016
DownloadsMolfile
FormulaC27H48O2
Net Charge0
Average Mass404.679
Monoisotopic Mass404.36543
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)C)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyAPYVEUGLZHAHDJ-TVRYRFOISA-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-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  Source
3alpha,7alpha-dihydroxy-5beta-cholestaneChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestaneKEGG COMPOUND
5beta-Cholestane-3alpha,7alpha-diolKEGG COMPOUND
5β-cholestane-3α,7α-diolChEBI
DihydroxycoprostaneChemIDplus
UniProt Name  Source
5β-cholestane-3α,7α-diolUniProt
Manual XrefsDatabases
C05452KEGG COMPOUND
LMST04030109LIPID MAPS
Registry NumbersSources
CAS:3862-26-8ChemIDplus