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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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4-methylheptane
Properties
Image
MNX_ID
MNXM101982
reference
chebi:67193
formula
C
8
H
18
global charge
0
mol weight
114.232
InChIKey
CHBAWFGIXDBEBT-UHFFFAOYSA-N
InChI
InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3
SMILES
CCCC(C)CCC
MNX internals
InChI (mnx)
InChI=1/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3
SMILES (mnx)
[CH3:1][CH2:4][CH2:6][CH:8]([CH3:3])[CH2:7][CH2:5][CH3:2]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
CHEBI:67193
chebi:67193
CHBAWFGIXDBEBT-UHFFFAOYSA-N
4-methylheptane
lipidmaps:LMFA11000608
lipidmapsM:LMFA11000608
CHBAWFGIXDBEBT-UHFFFAOYSA-N
4-methyl-heptane
4-methyl-heptane