KEGG   COMPOUND: C16516
Entry
C16516                      Compound                               

Name
Indolylmethylthiohydroximate;
(E)-2-(1H-Indol-3-yl)-1-thioacetohydroximate
Formula
C10H10N2OS
Exact mass
206.0514
Mol weight
206.2642
Structure
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
LinkDB
KCF data

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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