KEGG   COMPOUND: C17237Help
Entry
C17237                      Compound                               

Name
S-(Phenylacetothiohydroximoyl)-L-cysteine
Formula
C11H14N2O3S
Exact mass
254.0725
Mol weight
254.3055
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
1.14.14.45      1.14.-.-        4.4.1.-
Other DBs
PubChem: 96023645
ChEBI: 80979
NIKKAJI: J2.806.183H
KCF data Show

ATOM        17
            1   C8x C    22.9217  -18.9343
            2   C8x C    22.9217  -20.3371
            3   C8x C    24.1365  -21.0386
            4   C8x C    25.3515  -20.3371
            5   C8y C    25.3515  -18.9343
            6   C8x C    24.1365  -18.2330
            7   C1b C    26.5850  -18.2220
            8   C2c C    27.7926  -18.9190
            9   S2a S    27.7926  -20.3218
            10  N2b N    28.9773  -18.2349
            11  O1b O    30.1735  -18.9256
            12  C1b C    29.0074  -21.0232
            13  C1c C    29.0074  -22.4260
            14  N1a N    27.7984  -23.1241
            15  C6a C    30.2412  -23.1382
            16  O6a O    31.4352  -22.4485
            17  O6a O    30.2416  -24.5453
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11   10  11 1
            12    9  12 1
            13   12  13 1
            14   13  14 1 #Up
            15   13  15 1
            16   15  16 1
            17   15  17 2

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