KEGG   COMPOUND: C08418Help
Entry
C08418                      Compound                               

Name
Glucoputranjivin;
1-Methylethyl glucosinolate
Formula
C10H19NO9S2
Exact mass
361.0501
Mol weight
361.3892
Structure
Mol fileKCF fileDB search
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from valine
    C08418  Glucoputranjivin
Glycosides [BR:br08021]
 S-glycosides
  C08418  Glucoputranjivin
BRITE hierarchy
Other DBs
CAS: 18432-16-1
PubChem: 10614
ChEBI: 5414 79331
KNApSAcK: C00001479
NIKKAJI: J2.766.020G
KCF data Show

ATOM        22
            1   C1y C    20.2926  -16.8777
            2   O2x O    19.1285  -17.5505
            3   C1y C    21.4391  -17.5563
            4   S2a S    20.2751  -15.4389
            5   C1y C    19.1285  -18.8725
            6   C1y C    21.4332  -18.8784
            7   O1a O    22.5915  -16.8894
            8   C2c C    20.2868  -14.1110
            9   C1y C    20.2868  -19.5453
            10  C1b C    17.9821  -19.5627
            11  O1a O    22.5855  -19.5570
            12  N2b N    21.4274  -13.4324
            13  C1c C    19.0232  -13.3856
            14  O1a O    20.2751  -20.8789
            15  O1a O    16.8179  -18.9017
            16  O2a O    22.5798  -12.7598
            17  C1a C    17.7540  -14.1052
            18  C1a C    19.0291  -11.9116
            19  S4a S    23.8315  -13.6957
            20  O1d O    24.9079  -12.4789
            21  O1d O    22.7202  -14.8480
            22  O1d O    25.1243  -14.5088
BOND        22
            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   13  18 1
            18   16  19 1
            19   19  20 2
            20   19  21 2
            21   19  22 1
            22    6   9 1

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