KEGG   COMPOUND: C04558Help
Entry
C04558                      Compound                               

Name
3-Methylmuconolactone;
4-Carboxymethyl-3-methylbut-2-en-1,4-olide
Formula
C7H8O4
Exact mass
156.0423
Mol weight
156.136
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
5.3.3.-         5.4.99.14       5.5.1.1         5.5.1.-
Other DBs
PubChem: 7162
ChEBI: 16754
NIKKAJI: J971.109K
KCF data Show

ATOM        11
            1   C1y C    17.7014  -17.3824
            2   O7x O    18.8270  -16.5653
            3   C2y C    18.1258  -18.7203
            4   C1b C    16.3762  -16.9449
            5   C7x C    19.9656  -17.3824
            6   C2x C    19.5345  -18.7203
            7   C1a C    17.3025  -19.8524
            8   C6a C    16.0866  -15.5748
            9   O6a O    21.2970  -16.9449
            10  O6a O    17.1352  -14.6484
            11  O6a O    14.7616  -15.1439
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     8  10 1
            10    8  11 2
            11    5   6 1

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