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> Main
CHEBI:141563 - 2,4-dimethyl-1-heptene
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ChEBI Name
2,4-dimethyl-1-heptene
ChEBI ID
CHEBI:141563
Definition
An alkene that is 2-methylhept-1-ene carrying a methyl group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C9H18
Net Charge
0
Average Mass
126.240
Monoisotopic Mass
126.14085
InChI
InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKey
CZGAOHSMVSIJJZ-UHFFFAOYSA-N
SMILES
C(CCC)(CC(C)=C)C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in cell suspension culture
(BTO:0000221)
. Detected in human lung cancer cell line. See:
PubMed
Sus scrofa domesticus
(NCBI:txid9825)
Detected in fresh pork loin and belly cuts. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,4-dimethyl-1-heptene (
CHEBI:141563
)
has parent hydride
heptane (
CHEBI:43098
)
2,4-dimethyl-1-heptene (
CHEBI:141563
)
has role
animal metabolite (
CHEBI:75767
)
2,4-dimethyl-1-heptene (
CHEBI:141563
)
has role
human metabolite (
CHEBI:77746
)
2,4-dimethyl-1-heptene (
CHEBI:141563
)
is a
alkene (
CHEBI:32878
)
2,4-dimethyl-1-heptene (
CHEBI:141563
)
is a
volatile organic compound (
CHEBI:134179
)
IUPAC Name
2,4-dimethylhept-1-ene
Synonyms
Sources
2,4-Dimethyl-1-hepten
ChEBI
2,4-dimethyl-1-heptene
ChemIDplus
Registry Numbers
Types
Sources
1736468
Reaxys Registry Number
Reaxys
19549-87-2
CAS Registry Number
ChemIDplus
19549-87-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
17995825
PubMed citation
Europe PMC
20056637
PubMed citation
Europe PMC
Last Modified
18 June 2019