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CHEBI:141563 - 2,4-dimethyl-1-heptene

ChEBI IDCHEBI:141563
ChEBI Name2,4-dimethyl-1-heptene
Stars
DefinitionAn alkene that is 2-methylhept-1-ene carrying a methyl group at position 4.
Last Modified18 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC9H18
Net Charge0
Average Mass126.243
Monoisotopic Mass126.14085
SMILESC=C(C)CC(C)CCC
InChIInChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyCZGAOHSMVSIJJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) cell suspension culture (BTO:0000221) PubMed (20056637) Detected in human lung cancer cell line.
Sus scrofa domesticus (ncbitaxon:9825) - PubMed (17995825) Detected in fresh pork loin and belly cuts.
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
2,4-dimethyl-1-hepteneChemIDplus
2,4-Dimethyl-1-heptenChEBI
Registry NumbersSources
Reaxys:1736468Reaxys
CAS:19549-87-2ChemIDplus
CAS:19549-87-2NIST Chemistry WebBook
Citations