KEGG   COMPOUND: C17216Help
Entry
C17216                      Compound                               

Name
2-Oxo-6-methylthiohexanoic acid;
6-(Methylthio)-2-oxo-hexanoic acid
Formula
C7H12O3S
Exact mass
176.0507
Mol weight
176.2334
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
    C17216  2-Oxo-6-methylthiohexanoic acid
BRITE hierarchy
Other DBs
PubChem: 96023624
ChEBI: 80965
KNApSAcK: C00007648
NIKKAJI: J2.805.986H
KCF data Show

ATOM        11
            1   C1a C    16.7300  -16.1000
            2   S2a S    17.9424  -16.8000
            3   C1b C    19.1549  -16.1000
            4   C1b C    20.3673  -16.8000
            5   C1b C    21.5797  -16.1000
            6   C1b C    22.7922  -16.8000
            7   C5a C    24.0046  -16.1000
            8   C6a C    25.2170  -16.8000
            9   O6a O    26.4295  -16.1000
            10  O5a O    24.0046  -14.7000
            11  O6a O    25.2170  -18.2000
BOND        10
            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     7  10 2
            10    8  11 2

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