KEGG   COMPOUND: C17214
Entry
C17214                      Compound                               

Name
2-(3'-Methylthio)propylmalic acid;
2-(3'-Methylthio)propylmalate
Formula
C8H14O5S
Exact mass
222.0562
Mol weight
222.2588
Structure
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.3.3.17        4.2.1.170
Other DBs
PubChem: 96023622
ChEBI: 50262
KNApSAcK: C00007646
NIKKAJI: J2.805.984A
KCF data

ATOM        14
            1   C1b C    22.7052  -18.5731
            2   C1b C    23.9190  -17.8722
            3   C1b C    25.1330  -18.5731
            4   C1d C    26.3467  -17.8722
            5   C1b C    27.5606  -18.5731
            6   C6a C    28.7745  -17.8722
            7   S2a S    21.4913  -17.8722
            8   C1a C    20.2944  -18.5634
            9   O6a O    29.9739  -18.5645
            10  O6a O    28.7745  -16.4500
            11  C6a C    26.3467  -16.4722
            12  O6a O    27.5483  -15.7782
            13  O6a O    25.1045  -15.7553
            14  O1a O    25.1343  -17.1722
BOND        13
            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     7   8 1
            8     6   9 1
            9     6  10 2
            10    4  11 1
            11   11  12 2
            12   11  13 1
            13    4  14 1

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