KEGG   COMPOUND: C17254
Entry
C17254                      Compound                               
Name
8-Methylthiooctyl glucosinolate
Formula
C16H31NO9S3
Exact mass
477.1161
Mol weight
477.6136
Structure
Reaction
R11888
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.8.2.38
Brite
Glycosides [BR:br08021]
 S-glycosides
  C17254  8-Methylthiooctyl glucosinolate
Other DBs
PubChem: 96023661
ChEBI: 80989
NIKKAJI: J2.806.251F
KCF data

ATOM        29
            1   C1y C    24.7381  -16.5597
            2   O2x O    23.5872  -17.2259
            3   C1y C    25.8890  -17.2316
            4   S2a S    24.7205  -15.1167
            5   C1y C    23.5872  -18.5461
            6   C1y C    25.8830  -18.5519
            7   O1a O    27.0341  -16.5715
            8   C2c C    24.7321  -13.7907
            9   C1y C    24.7321  -19.2180
            10  C1b C    22.4303  -19.2356
            11  O1a O    27.0282  -19.2297
            12  N2b N    25.8773  -13.1129
            13  C1b C    23.4703  -13.0662
            14  O1a O    24.7205  -20.5499
            15  O1a O    21.2737  -18.5871
            16  O2a O    27.0224  -12.4411
            17  C1b C    22.2084  -13.7848
            18  S4a S    28.2726  -13.3817
            19  C1b C    20.9348  -13.0603
            20  O1d O    29.3476  -12.1606
            21  O1d O    27.1684  -14.5326
            22  O1d O    29.5695  -14.1936
            23  C1b C    19.6728  -13.7790
            24  C1b C    18.4109  -13.0369
            25  C1b C    17.2110  -13.7172
            26  C1b C    16.0289  -13.0226
            27  C1b C    14.8182  -13.7093
            28  S2a S    13.5962  -12.9907
            29  C1a C    12.3870  -13.6758
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 2
            12    8  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   18  21 2
            21   18  22 1
            22   19  23 1
            23   23  24 1
            24    6   9 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1

» Japanese version

  All links  
Pathway (3)   
   KEGG PATHWAY (3)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
Gene (23)   
   KEGG GENES (23)   
All databases (31)   

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