KEGG   COMPOUND: C17244Help
Entry
C17244                      Compound                               

Name
3-Methylthiopropyl-desulfoglucosinolate
Formula
C11H21NO6S2
Exact mass
327.081
Mol weight
327.4175
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.4.1.195       2.8.2.-
Other DBs
PubChem: 96023652
ChEBI: 80985
NIKKAJI: J2.806.224I
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1y C    20.5585  -15.9420
            2   C1y C    21.7589  -16.6290
            3   O2x O    19.3700  -16.6228
            4   S2a S    20.5407  -14.4430
            5   C1y C    21.7530  -18.0145
            6   O1a O    22.9474  -15.9540
            7   C1y C    19.3700  -18.0084
            8   C2c C    20.5525  -13.0632
            9   C1y C    20.5525  -18.7073
            10  O1a O    22.9416  -18.7192
            11  C1b C    18.1695  -18.7251
            12  C1b C    19.2446  -12.3168
            13  N2b N    21.7470  -12.3705
            14  O1a O    20.5407  -20.0750
            15  O1a O    16.9571  -18.0384
            16  C1b C    18.0094  -13.0382
            17  C1b C    16.7884  -12.3414
            18  S2a S    15.5777  -13.0486
            19  C1a C    14.3479  -12.3466
            20  O1b O    21.7418  -10.8503
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Up
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Down
            14   11  15 1
            15    7   9 1
            16   12  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   13  20 1

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