CHEBI:186781 - cis-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 cis-1,2-dimethylcyclohexane
ChEBI ID CHEBI:186781
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+
InChIKey KVZJLSYJROEPSQ-OCAPTIKFSA-N
SMILES [C@H]1([C@@H](CCCC1)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing cis-1,2-dimethylcyclohexane (CHEBI:186781) is a cycloalkane (CHEBI:23453)
IUPAC Name
(1S,2R)-1,2-dimethylcyclohexane
Manual Xrefs Databases
15765 ChemSpider
LMFA11000636 LIPID MAPS
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Registry Number Type Source
2207-01-4 CAS Registry Number ChemIDplus