KEGG   COMPOUND: C17220Help
Entry
C17220                      Compound                               

Name
2-Oxo-7-methylthioheptanoic acid;
7-(Methylthio)-2-oxo-heptanoic acid
Formula
C8H14O3S
Exact mass
190.0664
Mol weight
190.26
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
    C17220  2-Oxo-7-methylthioheptanoic acid
BRITE hierarchy
Other DBs
PubChem: 96023628
ChEBI: 80968
KNApSAcK: C00007645
NIKKAJI: J2.806.002E
KCF data Show

ATOM        12
            1   C1a C    17.1500  -17.6400
            2   S2a S    18.3624  -16.9400
            3   C1b C    19.5749  -17.6400
            4   C1b C    20.7873  -16.9400
            5   C1b C    21.9997  -17.6400
            6   C1b C    23.2122  -16.9400
            7   C1b C    24.4246  -17.6400
            8   C5a C    25.6370  -16.9400
            9   C6a C    26.8495  -17.6400
            10  O6a O    28.0619  -16.9400
            11  O5a O    25.6370  -15.5401
            12  O6a O    26.8495  -19.0400
BOND        11
            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    8  11 2
            11    9  12 2

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