KEGG   COMPOUND: C17256Help
Entry
C17256                      Compound                               

Name
2-Methylpropyl glucosinolate;
Isobutyl glucosinolate
Formula
C11H21NO9S2
Exact mass
375.0658
Mol weight
375.4157
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 leucine
    C17256  2-Methylpropyl glucosinolate
BRITE hierarchy
Other DBs
PubChem: 96023663
ChEBI: 79338
NIKKAJI: J2.806.252D
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1y C    18.1197  -16.3512
            2   O2x O    16.9645  -17.0199
            3   C1y C    19.2749  -17.0256
            4   S2a S    18.1020  -14.9027
            5   C1y C    16.9645  -18.3451
            6   C1y C    19.2690  -18.3509
            7   O1a O    20.4244  -16.3630
            8   C2c C    18.1137  -13.5717
            9   C1y C    18.1137  -19.0195
            10  C1b C    15.8032  -19.0372
            11  O1a O    20.4185  -19.0313
            12  N2b N    19.2633  -12.8913
            13  C1b C    16.8471  -12.8444
            14  O1a O    18.1020  -20.3565
            15  O1a O    14.6422  -18.3862
            16  O2a O    20.4127  -12.2169
            17  C1c C    15.5805  -13.5658
            18  S4a S    21.6676  -13.1611
            19  O1d O    22.7467  -11.9354
            20  O1d O    20.5593  -14.3164
            21  O1d O    22.9694  -13.9761
            22  C1a C    14.3764  -12.8611
            23  C1a C    15.6421  -14.9911
BOND        23
            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   18  19 2
            19   18  20 2
            20   18  21 1
            21    6   9 1
            22   17  22 1
            23   17  23 1

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