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ChEBI
> Main
CHEBI:16931 -
trans
-cyclohexane-1,2-diol
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ChEBI Ontology
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ChEBI Name
trans
-cyclohexane-1,2-diol
ChEBI ID
CHEBI:16931
ChEBI ASCII Name
trans-cyclohexane-1,2-diol
Definition
A cyclohexane-1,2-diol with
trans
-configuration. It is a metabolite of cyclohexene oxide and other such compounds.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10722, CHEBI:12872, CHEBI:27075
Supplier Information
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Formula
C6H12O2
Net Charge
0
Average Mass
116.15828
Monoisotopic Mass
116.08373
InChI
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
InChIKey
PFURGBBHAOXLIO-PHDIDXHHSA-N
SMILES
O[C@@H]1CCCC[C@H]1O
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
-(1
R
,2
R
)-cyclohexane-1,2-diol
Synonyms
Sources
trans-1,2-Cyclohexanediol
KEGG COMPOUND
trans-1,2-Dihydroxycyclohexane
ChemIDplus
trans-cyclohexane-1,2-diol
ChEBI
trans-Cyclohexane-1,2-diol
KEGG COMPOUND
trans
-cyclohexane-1,2-diol
UniProt
trans-Cyclohexane-1,2-diol
KEGG COMPOUND
Manual Xrefs
Databases
C03739
KEGG COMPOUND
TRANS-CYCLOHEXANE-12-DIOL
MetaCyc
View more database links
Registry Numbers
Types
Sources
1460-57-7
CAS Registry Number
KEGG COMPOUND
1460-57-7
CAS Registry Number
ChemIDplus
1901343
Reaxys Registry Number
Reaxys
Citations
Types
Sources
1687017
PubMed citation
Europe PMC
4655821
PubMed citation
Europe PMC
9300909
PubMed citation
Europe PMC
Last Modified
13 November 2017