KEGG   COMPOUND: C17212
Entry
C17212                      Compound                               
Name
3-(2'-Methylthio)ethylmalic acid;
3-(2'-Methylthio)ethylmalate
Formula
C7H12O5S
Exact mass
208.0405
Mol weight
208.2322
Structure
Reaction
R08620 R08621
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

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

» Japanese version

  All links  
Pathway (3)   
   KEGG PATHWAY (3)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Chemical reaction (3)   
   KEGG ENZYME (1)   
   KEGG REACTION (2)   
Gene (8721)   
   KEGG GENES (8721)   
All databases (8730)   

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