Entry |
|
Name |
S-(Indolylmethylthiohydroximoyl)-L-cysteine
|
Formula |
C13H15N3O3S
|
Exact mass |
293.0834
|
Mol weight |
293.34
|
Structure |

|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
map01210 | 2-Oxocarboxylic acid metabolism |
|
Module |
M00370 | Glucosinolate biosynthesis, tryptophan => glucobrassicin |
|
Enzyme |
|
Other DBs |
|
KCF data |
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
|