KEGG   COMPOUND: C16589Help
Entry
C16589                      Compound                               

Name
2-Oxosuberate;
2-Oxooctanedionic acid;
alpha-Ketosuberate
Formula
C8H12O5
Exact mass
188.0685
Mol weight
188.1779
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00680  Methane metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01210  2-Oxocarboxylic acid metabolism
Module
M00608  2-Oxocarboxylic acid chain extension, 2-oxoglutarate => 2-oxoadipate => 2-oxopimelate => 2-oxosuberate
Enzyme
1.1.1.-
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   2-Oxocarboxylic acids
    C16589  2-Oxosuberate
BRITE hierarchy
Other DBs
PubChem: 51090916
ChEBI: 80587
KNApSAcK: C00000773
NIKKAJI: J986.934D
LinkDB All DBs
KCF data Show

ATOM        13
            1   C1b C    32.9000  -21.0700
            2   C5a C    34.1600  -21.7700
            3   C1b C    31.7100  -21.7700
            4   C6a C    35.3500  -21.0700
            5   O5a O    34.1600  -23.1700
            6   C1b C    30.4500  -21.0700
            7   O6a O    36.6100  -21.7700
            8   O6a O    35.3500  -19.7400
            9   C1b C    29.2600  -21.7700
            10  C1b C    28.0000  -21.0000
            11  C6a C    26.8100  -21.7000
            12  O6a O    25.5500  -21.0000
            13  O6a O    26.8100  -23.1000
BOND        12
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     6   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2

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