KEGG   COMPOUND: C01163
Entry
C01163                      Compound                               
Name
3-Carboxy-cis,cis-muconate;
beta-Carboxy-cis,cis-muconate;
cis,cis-Butadiene-1,2,4-tricarboxylate
Formula
C7H6O6
Exact mass
186.0164
Mol weight
186.1189
Structure
Reaction
R01631 R03307 R03308
Pathway
map00362  Benzoate degradation
map00624  Polycyclic aromatic hydrocarbon degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.13.11.3       5.5.1.2         5.5.1.5
Other DBs
CAS: 1116-26-3
PubChem: 4390
ChEBI: 15749
KNApSAcK: C00007499
3DMET: B00251
NIKKAJI: J1.000.749F
LinkDB
KCF data

ATOM        13
            1   C2c C    28.2827  -16.6182
            2   C2b C    28.2827  -18.0164
            3   C2b C    29.4936  -15.9163
            4   C6a C    27.0718  -15.9163
            5   C2b C    29.4936  -18.7184
            6   C6a C    30.7046  -16.6182
            7   O6a O    27.0718  -14.5181
            8   O6a O    25.8608  -16.6182
            9   C6a C    30.7046  -18.0164
            10  O6a O    31.9213  -15.9163
            11  O6a O    30.7629  -15.2143
            12  O6a O    31.9213  -18.7184
            13  O6a O    30.7629  -19.4087
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    9  12 1
            12    9  13 2

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