KEGG   COMPOUND: C17222
Entry
C17222                      Compound                               

Name
2-(5'-Methylthio)pentylmalic acid;
2-(5'-Methylthio)pentylmalate
Formula
C10H18O5S
Exact mass
250.0875
Mol weight
250.3119
Structure
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.3.3.17        4.2.1.170
Other DBs
PubChem: 96023630
ChEBI: 80969
KNApSAcK: C00007642
NIKKAJI: J2.806.003C
KCF data

ATOM        16
            1   C1b C    23.9483  -18.5502
            2   C1b C    25.1649  -17.8477
            3   C1b C    26.3818  -18.5502
            4   C1d C    27.5984  -17.8477
            5   C1b C    28.8152  -18.5502
            6   C6a C    30.0319  -17.8477
            7   C1b C    22.7315  -17.8477
            8   C1b C    21.5317  -18.5405
            9   S2a S    20.3387  -17.8517
            10  C1a C    19.1441  -18.5414
            11  O6a O    31.2439  -18.5474
            12  O6a O    30.0319  -16.4500
            13  C6a C    27.5983  -16.4501
            14  O6a O    26.3721  -15.7421
            15  O6a O    28.7970  -15.7579
            16  O1a O    26.3860  -17.1477
BOND        15
            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    6  11 1
            11    6  12 2
            12    4  13 1
            13   13  14 1
            14   13  15 2
            15    4  16 1

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