KEGG   COMPOUND: C04434Help
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
Mol fileKCF fileDB searchJmolKegDraw
Comment
4-Carboxy-2-hydroxy-cis,cis-muconate (enol tautomer) [CPD:C04324]
Reaction
Pathway
Benzoate degradation
Aminobenzoate degradation
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: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

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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