CHEBI:88554 - 3-(2-methylpropyl)cyclohexene

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ChEBI Name 3-(2-methylpropyl)cyclohexene
ChEBI ID CHEBI:88554
Definition A member of the class of cycloalkenes that is cyclohexene substituted by a 2-methylpropyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H18
Net Charge 0
Average Mass 138.254
Monoisotopic Mass 138.14085
InChI InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKey NVLNRIBMCIJLQD-UHFFFAOYSA-N
SMILES CC(C)CC1CCCC=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 3-(2-methylpropyl)cyclohexene (CHEBI:88554) has role human metabolite (CHEBI:77746)
3-(2-methylpropyl)cyclohexene (CHEBI:88554) is a cycloalkene (CHEBI:33643)
IUPAC Name
3-(2-methylpropyl)cyclohexene
Synonyms Sources
3-(2-methylpropyl)-1-cyclohexene ChEBI
3-(2-methylpropyl)-cyclohexene ChEBI
3-(2-methylpropyl)cyclohex-1-ene IUPAC
3-isobutyl-1-cyclohexene NIST Chemistry WebBook
3-isobutylcyclohex-1-ene ChEBI
3-isobutylcyclohexene-1 NIST Chemistry WebBook
Manual Xrefs Databases
18896 ChemSpider
HMDB0061801 HMDB
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Registry Numbers Types Sources
4104-56-7 CAS Registry Number NIST Chemistry WebBook
4104-56-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10022208 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
Last Modified
12 November 2020