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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Isocaprononitrile
Properties
Image
Occurences in reactions
MNX_ID
MNXM168020
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
6
H
11
N
charge
0
mass
97.08915
reference
sabiorkM:20850
InChIKey
DUJMVKJJUANUMQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3
SMILES
CC(C)CCC#N
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
sabiork.compound:20850
sabiorkM:20850
Isocaprononitrile
4-Methylpentanenitrile
