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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:67193 - 4-methylheptane
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ChEBI Ontology
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ChEBI Name
4-methylheptane
ChEBI ID
CHEBI:67193
Definition
A branched C
8
alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H18
Net Charge
0
Average Mass
114.22850
Monoisotopic Mass
114.14085
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-methylheptane (
CHEBI:67193
)
has role
plant metabolite (
CHEBI:76924
)
4-methylheptane (
CHEBI:67193
)
is a
alkane (
CHEBI:18310
)
Incoming
(2
E
,4
E
,6
E
)-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
View more database links
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
Types
Sources
15527361
PubMed citation
Europe PMC
IND44083881
Agricola citation
Europe PMC
Last Modified
18 February 2014