KEGG   COMPOUND: C16074Help
Entry
C16074                      Compound                               

Name
Phenylacetonitrile;
Benzyl cyanide
Formula
C8H7N
Exact mass
117.0578
Mol weight
117.1479
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00460  Cyanoamino acid metabolism
map00643  Styrene degradation
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.14.44      3.5.5.1         4.2.1.84        4.99.1.7
Other DBs
CAS: 140-29-4
PubChem: 47205384
ChEBI: 25979
ChEMBL: CHEMBL3560735
KNApSAcK: C00007674 C00048326
NIKKAJI: J5.653G
KCF data Show

ATOM        9
            1   C8y C    22.9969  -19.9438
            2   C1b C    22.9969  -18.5545
            3   C8x C    21.7932  -20.6415
            4   C8x C    24.2196  -20.6415
            5   C3b C    24.2003  -17.8503
            6   C8x C    21.7932  -22.0499
            7   C8x C    24.2196  -22.0499
            8   N3a N    25.4040  -17.1524
            9   C8x C    22.9969  -22.7606
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 3
            8     6   9 2
            9     7   9 1

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