CHEBI:67193 - 4-methylheptane

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ChEBI Name 4-methylheptane
ChEBI ID CHEBI:67193
Definition A branched C8 alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H18
Net Charge 0
Average Mass 114.22850
Monoisotopic Mass 114.141
InChI InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3
InChIKey CHBAWFGIXDBEBT-UHFFFAOYSA-N
SMILES CCCC(C)CCC
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 4-methylheptane (CHEBI:67193) has role plant metabolite (CHEBI:76924)
4-methylheptane (CHEBI:67193) is a alkane (CHEBI:18310)
Incoming (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 Xref Database
LMFA11000608 LIPID MAPS
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Registry Numbers Types Sources
1696874 Reaxys Registry Number Reaxys
589-53-7 CAS Registry Number NIST Chemistry WebBook
589-53-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15527361 PubMed citation Europe PMC
IND44083881 Agricola citation Europe PMC
Last Modified
18 February 2014