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CHEBI:67193 - 4-methylheptane

ChEBI IDCHEBI:67193
ChEBI Name4-methylheptane
Stars
DefinitionA branched C8 alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds.
Last Modified18 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H18
Net Charge0
Average Mass114.232
Monoisotopic Mass114.14085
SMILESCCCC(C)CCC
InChIInChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3
InChIKeyCHBAWFGIXDBEBT-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
4-methylheptane (CHEBI:67193) has role plant metabolite (CHEBI:76924)
4-methylheptane (CHEBI:67193) is a alkane (CHEBI:18310)
Incoming Relation(s)
(2E,4E,6E)-7-hydroxy-4-methylhepta-2,4,6-trienal (CHEBI:67191) has parent hydride 4-methylheptane (CHEBI:67193)
IUPAC Name 
4-methylheptane
Manual XrefsDatabases
LMFA11000608LIPID MAPS
Registry NumbersSources
Reaxys:1696874Reaxys
CAS:589-53-7ChemIDplus
CAS:589-53-7NIST Chemistry WebBook
Citations