EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16931 - trans-cyclohexane-1,2-diol

ChEBI IDCHEBI:16931
ChEBI Nametrans-cyclohexane-1,2-diol
Stars
ASCII Nametrans-cyclohexane-1,2-diol
DefinitionA cyclohexane-1,2-diol with trans-configuration. It is a metabolite of cyclohexene oxide and other such compounds.
Secondary ChEBI IDsCHEBI:10722, CHEBI:12872, CHEBI:27075
Last Modified13 November 2017
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESO[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
InChIKeyPFURGBBHAOXLIO-PHDIDXHHSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
trans-cyclohexane-1,2-diol (CHEBI:16931) has role human xenobiotic metabolite (CHEBI:76967)
trans-cyclohexane-1,2-diol (CHEBI:16931) is a cyclohexane-1,2-diol (CHEBI:24567)
IUPAC Name 
rel-(1R,2R)-cyclohexane-1,2-diol
Synonyms  Source
trans-1,2-CyclohexanediolKEGG COMPOUND
trans-1,2-DihydroxycyclohexaneChemIDplus
trans-cyclohexane-1,2-diolChEBI
trans-Cyclohexane-1,2-diolKEGG COMPOUND
trans-Cyclohexane-1,2-diolKEGG COMPOUND
UniProt Name  Source
trans-cyclohexane-1,2-diolUniProt
Manual XrefsDatabases
C03739KEGG COMPOUND
C03739KEGG COMPOUND
TRANS-CYCLOHEXANE-12-DIOLMetaCyc
Registry NumbersSources
Reaxys:1901343Reaxys
CAS:1460-57-7ChemIDplus
CAS:1460-57-7KEGG COMPOUND
Citations