KEGG   COMPOUND: C01998
Entry
C01998                      Compound                               
Name
Acrylonitrile;
Propenenitrile;
Vinyl cyanide
Formula
C3H3N
Exact mass
53.0265
Mol weight
53.0626
Structure
Reaction
R05358 R05379
Pathway
map00643  Styrene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.5.5.7         4.2.1.84
Brite
Pesticides [BR:br08007]
 Obsolete pesticides
  Others
   Fumigants
    C01998  Acrylonitrile
Other DBs
CAS: 107-13-1
PubChem: 5095
ChEBI: 28217
PDB-CCD: 6AC[PDBj]
3DMET: B00380
NIKKAJI: J4.055J
LinkDB
KCF data

ATOM        4
            1   N3a N    15.2600  -17.0100
            2   C3b C    16.4724  -17.7100
            3   C2b C    17.6849  -17.0100
            4   C2a C    18.8973  -17.7100
BOND        3
            1     1   2 3
            2     2   3 1
            3     3   4 2

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