KEGG   COMPOUND: C17224Help
Entry
C17224                      Compound                               

Name
2-Oxo-8-methylthiooctanoic acid;
8-Methylthio-2-octanoic acid
Formula
C9H16O3S
Exact mass
204.082
Mol weight
204.2865
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
1.1.1.-         2.3.3.17        2.6.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C17224  2-Oxo-8-methylthiooctanoic acid
BRITE hierarchy
Other DBs
PubChem: 96023632
ChEBI: 80971
KNApSAcK: C00007643
NIKKAJI: J2.806.018A
KCF data Show

ATOM        13
            1   C1a C    14.9800  -14.7700
            2   S2a S    16.1924  -15.4700
            3   C1b C    17.4049  -14.7700
            4   C1b C    18.6173  -15.4700
            5   C1b C    19.8297  -14.7700
            6   C1b C    21.0422  -15.4700
            7   C1b C    22.2546  -14.7700
            8   C1b C    23.4670  -15.4700
            9   C5a C    24.6795  -14.7700
            10  C6a C    25.8919  -15.4700
            11  O6a O    27.1044  -14.7700
            12  O5a O    24.6795  -13.3703
            13  O6a O    25.8919  -16.8700
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    9  12 2
            12   10  13 2

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