CHEBI:188237 - trans-1,2-dimethylcyclohexane

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name trans-1,2-dimethylcyclohexane
ChEBI ID CHEBI:188237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H16
Net Charge 0
Average Mass 112.216
Monoisotopic Mass 112.12520
InChI InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey KVZJLSYJROEPSQ-HTQZYQBOSA-N
SMILES [C@@H]1([C@@H](CCCC1)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing trans-1,2-dimethylcyclohexane (CHEBI:188237) is a cycloalkane (CHEBI:23453)
IUPAC Name
(1R,2R)-1,2-dimethylcyclohexane
Manual Xrefs Databases
21800 ChemSpider
LMFA11000637 LIPID MAPS
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Registry Number Type Source
6876-23-9 CAS Registry Number ChemIDplus