KEGG   COMPOUND: C04434
Entry
C04434                      Compound                               
Name
(1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate;
4-Oxalomesaconate;
4-Oxalmesaconic acid
Formula
C7H6O7
Exact mass
202.0114
Mol weight
202.1183
Structure
Comment
4-Carboxy-2-hydroxy-cis,cis-muconate (enol tautomer) [CPD:C04324]
Reaction
R04277 R04478 R07839 R09273 R09565
Pathway
map00362  Benzoate degradation
map00627  Aminobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.8       1.13.11.57      3.1.1.57        4.2.1.83        
5.3.2.8
Other DBs
CAS: 85179-60-8
PubChem: 7065
ChEBI: 15668
PDB-CCD: NQM[PDBj]
3DMET: B00712
NIKKAJI: J82.431C
LinkDB
KCF data

ATOM        14
            1   C2c C    19.2127  -17.4157
            2   C1b C    18.0232  -16.7324
            3   C2b C    20.3896  -16.7262
            4   C6a C    19.2063  -19.1303
            5   C5a C    16.8274  -17.4157
            6   C6a C    20.3896  -15.3720
            7   O6a O    18.0106  -19.8136
            8   O6a O    20.4023  -19.8136
            9   C6a C    15.6379  -16.7324
            10  O5a O    16.8274  -18.7951
            11  O6a O    21.5727  -14.6634
            12  O6a O    19.1812  -14.7078
            13  O6a O    15.6443  -15.3531
            14  O6a O    14.4484  -17.4221
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2
            12    9  13 1
            13    9  14 2

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