KEGG   COMPOUND: C17242Help
Entry
C17242                      Compound                               

Name
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine
Formula
C8H16N2O3S2
Exact mass
252.0602
Mol weight
252.3542
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
1.14.14.43      4.4.1.-
Other DBs
PubChem: 96023650
ChEBI: 80983
NIKKAJI: J2.806.207I
LinkDB All DBs
KCF data Show

ATOM        15
            1   C1b C    27.7622  -18.2015
            2   C2c C    28.9792  -18.9040
            3   S2a S    28.9792  -20.3176
            4   N2b N    30.1730  -18.2145
            5   O1b O    31.3784  -18.9107
            6   C1b C    30.2033  -21.0244
            7   C1c C    30.2033  -22.4381
            8   N1a N    28.9850  -23.1415
            9   C6a C    31.4467  -23.1558
            10  O6a O    32.6499  -22.4608
            11  O6a O    31.4471  -24.5738
            12  C1b C    26.5626  -18.8941
            13  C1b C    25.3514  -18.1946
            14  S2a S    24.1579  -18.8835
            15  C1a C    22.9557  -18.1893
BOND        14
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     4   5 1
            5     3   6 1
            6     6   7 1
            7     7   8 1 #Up
            8     7   9 1
            9     9  10 1
            10    9  11 2
            11    1  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1

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