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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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isovaleronitrile
Properties
Image
Occurences in reactions
MNX_ID
MNXM168035
#reac
in my sandbox
0
in MNXref (generic)
4
in models (compartimentalized)
0
formula
C
5
H
9
N
charge
0
mass
83.0735
reference
metacycM:CPD-22475
InChIKey
QHDRKFYEGYYIIK-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
SMILES
CC(C)CC#N
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-22475
metacycM:CPD-22475
isovaleronitrile
3-methylbutanenitrile
sabiork.compound:20852
sabiorkM:20852
Isovaleronitrile