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> Main
CHEBI:88554 - 3-(2-methylpropyl)cyclohexene
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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
).
View more via ChEBI Ontology
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
View more database links
Registry Numbers
Types
Sources
4104-56-7
CAS Registry Number
NIST Chemistry WebBook
4104-56-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10022208
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC
Last Modified
12 November 2020