KEGG   COMPOUND: C17223
Entry
C17223                      Compound                               
Name
3-(5'-Methylthio)pentylmalic acid;
3-(5'-Methylthio)pentylmalate
Formula
C10H18O5S
Exact mass
250.0875
Mol weight
250.3119
Structure
Reaction
R08634 R08636
Pathway
map00966  Glucosinolate biosynthesis
map01210  2-Oxocarboxylic acid metabolism
Enzyme
1.1.1.-         4.2.1.170
Other DBs
PubChem: 96023631
ChEBI: 80970
NIKKAJI: J2.806.004A
LinkDB
KCF data

ATOM        16
            1   C1b C    23.9483  -17.8502
            2   C1b C    25.1649  -17.1477
            3   C1b C    26.3818  -17.8502
            4   C1c C    27.5984  -17.1477
            5   C1c C    28.8152  -17.8502
            6   C6a C    30.0319  -17.1477
            7   C1b C    22.7316  -17.1477
            8   O1a O    28.8152  -19.2550
            9   C1b C    21.5318  -17.8406
            10  S2a S    20.3387  -17.1517
            11  C1a C    19.1441  -17.8415
            12  O6a O    31.2439  -17.8474
            13  O6a O    30.0319  -15.7500
            14  C6a C    27.5984  -15.7501
            15  O6a O    26.3722  -15.0421
            16  O6a O    28.7970  -15.0580
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     5   8 1
            8     7   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 1
            15   14  16 2

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