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

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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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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-(1R,2R)-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