KEGG   COMPOUND: C01998Help
Entry
C01998                      Compound                               

Name
Acrylonitrile;
Propenenitrile;
Vinyl cyanide
Formula
C3H3N
Exact mass
53.0265
Mol weight
53.0626
Structure
Mol fileKCF fileDB search
Reaction
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
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C01998  Acrylonitrile
BRITE hierarchy
Other DBs
CAS: 107-13-1
PubChem: 5095
ChEBI: 28217
ChEMBL: CHEMBL445612
PDB-CCD: 6AC[PDBj]
3DMET: B00380
NIKKAJI: J4.055J
LinkDB All DBs
KCF data Show

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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