KEGG   COMPOUND: C21691
Entry
C21691                      Compound                               

Name
omega-(Methylthio)alkyl-glucosinolate;
omega-(Methylsulfanyl)alkyl-glucosinolate
Formula
C10H19NO9S3(CH2)n
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 350078268
KCF data

ATOM        24
            1   C1y C    18.6758  -16.3675
            2   S2a S    18.6758  -14.9686
            3   O2x O    17.5566  -16.9971
            4   C1y C    19.8649  -16.9971
            5   C2c C    18.6758  -13.6396
            6   C1y C    17.5566  -18.3261
            7   C1y C    19.8649  -18.3261
            8   O1a O    20.9840  -16.3675
            9   N2b N    19.8649  -12.9402
            10  C1y C    18.6758  -19.0255
            11  C1b C    16.4375  -19.0255
            12  O1a O    20.9840  -19.0255
            13  O2a O    20.9840  -12.3106
            14  O1a O    18.6758  -20.3545
            15  O1a O    15.2484  -18.3960
            16  S4a S    22.2431  -13.2199
            17  O1d O    23.2923  -12.0308
            18  O1d O    21.1239  -14.3391
            19  O1d O    23.5021  -13.9894
            20  C1b C    17.4634  -12.9396
            21  C1b C    16.2509  -13.6396
            22  C1b C    15.0385  -12.9396
            23  S2a S    13.8260  -13.6396
            24  C1a C    12.6136  -12.9396
BOND        24
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 2
            9     6  10 1
            10    6  11 1 #Up
            11    7  12 1 #Up
            12    9  13 1
            13   10  14 1 #Down
            14   11  15 1
            15   13  16 1
            16   16  17 2
            17   16  18 2
            18   16  19 1
            19    7  10 1
            20    5  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
BRACKET     1    14.6300  -14.4900   14.6300  -12.2500
            1    15.6800  -12.2500   15.6800  -14.4900
            1  n
 ORIGINAL  1   22
 REPEAT    1

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