KEGG   COMPOUND: C03719
Entry
C03719                      Compound                               
Name
Phenylacetothiohydroximate;
(Z)-2-Phenyl-1-thioacetohydroximate
Formula
C8H9NOS
Exact mass
167.0405
Mol weight
167.2282
Structure
Reaction
R03213 R08654
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.4.1.195       4.4.1.-
Other DBs
PubChem: 6485
ChEBI: 17520
KNApSAcK: C00007672
3DMET: B00626
NIKKAJI: J2.745.198E
LinkDB
KCF data

ATOM        11
            1   C8y C    23.9993  -16.5498
            2   C1b C    25.2341  -15.8450
            3   C8x C    24.0051  -17.9825
            4   C8x C    22.7470  -15.8392
            5   C2c C    26.4747  -16.5556
            6   C8x C    22.7587  -18.7107
            7   C8x C    21.5006  -16.5615
            8   N2b N    27.6047  -15.8975
            9   S1a S    26.4630  -17.8545
            10  C8x C    21.5064  -17.9942
            11  O1b O    28.7405  -16.5498
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    7  10 2

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