KEGG   COMPOUND: C17210Help
Entry
C17210                      Compound                               

Name
2-(2'-Methylthio)ethylmalic acid;
2-(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
2.3.3.17        4.2.1.170
Other DBs
PubChem: 96023618
ChEBI: 50261
KNApSAcK: C00007647
NIKKAJI: J2.805.977I
KCF data Show

ATOM        13
            1   S2a S    22.0876  -18.5935
            2   C1b C    23.2982  -17.8945
            3   C1b C    24.5090  -18.5935
            4   C1d C    25.7197  -17.8945
            5   C1b C    26.9304  -18.5935
            6   C6a C    28.1412  -17.8945
            7   C1a C    20.8768  -17.8945
            8   O6a O    29.3699  -18.6042
            9   O6a O    28.1413  -16.4950
            10  C6a C    25.7197  -16.4967
            11  O1a O    24.5091  -17.1956
            12  O6a O    26.9317  -15.7969
            13  O6a O    24.5088  -15.7976
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    4  11 1
            11   10  12 2
            12   10  13 1

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