KEGG   COMPOUND: C17226Help
Entry
C17226                      Compound                               

Name
2-(6'-Methylthio)hexylmalic acid;
2-(6'-Methylthio)hexylmalate
Formula
C11H20O5S
Exact mass
264.1031
Mol weight
264.3385
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.3.3.17        4.2.1.170
Other DBs
PubChem: 96023634
ChEBI: 80972
KNApSAcK: C00007653
NIKKAJI: J2.806.057B
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1b C    24.4599  -18.5694
            2   C1b C    25.6777  -17.8662
            3   C1b C    26.8957  -18.5694
            4   C1d C    28.1136  -17.8662
            5   C1b C    29.3315  -18.5694
            6   C6a C    30.5494  -17.8662
            7   C1b C    23.2420  -17.8662
            8   C1b C    22.0411  -18.5597
            9   C1b C    20.8469  -17.8702
            10  S2a S    19.6511  -18.5606
            11  C1a C    18.4561  -17.8707
            12  O6a O    31.7328  -18.5495
            13  O6a O    30.5497  -16.4503
            14  C6a C    28.1136  -16.4662
            15  O6a O    29.3529  -15.7507
            16  O6a O    26.9143  -15.7735
            17  O1a O    26.9011  -17.1662
BOND        16
            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     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  12 1
            12    6  13 2
            13    4  14 1
            14   14  15 2
            15   14  16 1
            16    4  17 1

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