KEGG   COMPOUND: C16518Help
Entry
C16518                      Compound                               

Name
S-(Indolylmethylthiohydroximoyl)-L-cysteine
Formula
C13H15N3O3S
Exact mass
293.0834
Mol weight
293.3415
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
1.14.14.45      4.4.1.-
Other DBs
PubChem: 51090847
ChEBI: 80546
NIKKAJI: J2.803.444J
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    24.4920  -14.8289
            2   C1b C    25.6436  -14.1516
            3   C2c C    26.7999  -14.8219
            4   S2a S    26.7876  -16.1568
            5   N2b N    27.9500  -14.1453
            6   O1b O    29.3070  -14.5089
            7   C1b C    27.9832  -16.8471
            8   C1c C    27.9832  -18.2276
            9   N1a N    26.7876  -18.9179
            10  C6a C    29.1787  -18.9179
            11  O6a O    29.1787  -20.2984
            12  O6a O    30.3744  -18.2276
            13  C8y C    23.1626  -14.4259
            14  C8y C    22.3686  -15.5657
            15  N4x N    23.2072  -16.6731
            16  C8x C    24.5196  -16.2177
            17  C8x C    22.5680  -13.1585
            18  C8x C    21.1730  -13.0398
            19  C8x C    20.3789  -14.1795
            20  C8x C    20.9736  -15.4470
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     5   6 1
            6     4   7 1
            7     8   7 1 #Up
            8     8   9 1
            9     8  10 1
            10   10  11 2
            11   10  12 1
            12    1  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16    1  16 2
            17   13  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   14  20 2

» Japanese version

DBGET integrated database retrieval system