KEGG   COMPOUND: C17228Help
Entry
C17228                      Compound                               

Name
2-Oxo-9-methylthiononanoic acid;
9-Methylthio-2-nonanoic acid
Formula
C10H18O3S
Exact mass
218.0977
Mol weight
218.3131
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
    C17228  2-Oxo-9-methylthiononanoic acid
BRITE hierarchy
Other DBs
PubChem: 96023636
ChEBI: 80974
KNApSAcK: C00007654
NIKKAJI: J2.806.101C
KCF data Show

ATOM        14
            1   C1a C    10.5700  -14.7000
            2   S2a S    11.7824  -14.0000
            3   C1b C    12.9949  -14.7000
            4   C1b C    14.2073  -14.0000
            5   C1b C    15.4197  -14.7000
            6   C1b C    16.6322  -14.0000
            7   C1b C    17.8446  -14.7000
            8   C1b C    19.0570  -14.0000
            9   C1b C    20.2695  -14.7000
            10  C5a C    21.4819  -14.0000
            11  C6a C    22.6944  -14.7000
            12  O6a O    23.9068  -14.0000
            13  O5a O    21.4819  -12.6000
            14  O6a O    22.6944  -16.0999
BOND        13
            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   11  12 1
            12   10  13 2
            13   11  14 2

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