KEGG   COMPOUND: C16516Help
Entry
C16516                      Compound                               

Name
Indolylmethylthiohydroximate;
(E)-2-(1H-Indol-3-yl)-1-thioacetohydroximate
Formula
C10H10N2OS
Exact mass
206.0514
Mol weight
206.2642
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00380  Tryptophan metabolism
map00966  Glucosinolate biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Module
M00370  Glucosinolate biosynthesis, tryptophan => glucobrassicin
Enzyme
2.4.1.195       4.4.1.-
Other DBs
PubChem: 51090845
ChEBI: 80544
KNApSAcK: C00007397
NIKKAJI: J2.599.576G
KCF data Show

ATOM        14
            1   C8y C    18.9870  -16.3983
            2   C1b C    20.1176  -15.7338
            3   C2c C    21.2564  -16.3939
            4   S1a S    21.3143  -17.7081
            5   N2b N    22.3888  -15.7278
            6   C8y C    17.6366  -15.9388
            7   C8y C    16.7823  -17.0811
            8   N4x N    17.6047  -18.2465
            9   C8x C    18.9673  -17.8246
            10  C8x C    17.0850  -14.6522
            11  C8x C    15.6951  -14.4866
            12  C8x C    14.8407  -15.6289
            13  C8x C    15.3924  -16.9155
            14  O1b O    22.4135  -14.1414
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     1   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1   9 2
            10    6  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    7  13 2
            15    5  14 1

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