KEGG   COMPOUND: C17212Help
Entry
C17212                      Compound                               

Name
3-(2'-Methylthio)ethylmalic acid;
3-(2'-Methylthio)ethylmalate
Formula
C7H12O5S
Exact mass
208.0405
Mol weight
208.2322
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
1.1.1.-         4.2.1.170
Other DBs
PubChem: 96023620
ChEBI: 80963
NIKKAJI: J2.805.980I
KCF data Show

ATOM        13
            1   S2a S    22.0876  -18.5946
            2   C1b C    23.2982  -17.8956
            3   C1b C    24.5091  -18.5946
            4   C1c C    25.7197  -17.8956
            5   C1c C    26.9305  -18.5946
            6   C6a C    28.1413  -17.8956
            7   C1a C    20.8768  -17.8956
            8   O6a O    29.3703  -18.6054
            9   O6a O    28.1414  -16.4962
            10  C6a C    25.7197  -16.4977
            11  O6a O    26.9318  -15.7979
            12  O6a O    24.5092  -15.7987
            13  O1a O    26.9301  -20.0199
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   7 1
            7     6   8 1
            8     6   9 2
            9     4  10 1
            10   10  11 2
            11   10  12 1
            12    5  13 1

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