KEGG   COMPOUND: C01069Help
Entry
C01069                      Compound                               

Name
Desulfoglucotropeolin
Formula
C14H19NO6S
Exact mass
329.0933
Mol weight
329.3688
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       2.8.2.24
Other DBs
PubChem: 4308
ChEBI: 136422 15911
NIKKAJI: J2.731.144J
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    28.8634  -16.2050
            2   C1y C    30.0359  -16.8760
            3   O2x O    27.7025  -16.8700
            4   S2a S    28.8460  -14.7408
            5   C1y C    30.0302  -18.2294
            6   O1a O    31.1968  -16.2167
            7   C1y C    27.7025  -18.2234
            8   C2c C    28.8576  -13.3931
            9   C1y C    28.8576  -18.9061
            10  O1a O    31.1911  -18.9177
            11  C1b C    26.5299  -18.9235
            12  C1b C    27.5800  -12.6640
            13  N2b N    30.0243  -12.7164
            14  O1a O    28.8460  -20.2419
            15  O1a O    25.3457  -18.2527
            16  C8y C    26.3024  -13.3874
            17  O1b O    31.2028  -13.3874
            18  C8x C    26.3083  -14.8692
            19  C8x C    25.0131  -12.6582
            20  C8x C    25.0248  -15.6158
            21  C8x C    23.7240  -13.3990
            22  C8x C    23.7297  -14.8807
BOND        23
            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   12  16 1
            16   13  17 1
            17   16  18 1
            18   16  19 2
            19   18  20 2
            20   19  21 1
            21   20  22 1
            22    7   9 1
            23   21  22 2

» Japanese version

DBGET integrated database retrieval system