KEGG   COMPOUND: C04559Help
Entry
C04559                      Compound                               

Name
4-Methylmuconolactone;
4-Carboxymethyl-4-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
Enzyme
5.4.99.14       5.5.1.1
Other DBs
PubChem: 7163
ChEBI: 16766
NIKKAJI: J1.004.626B
KCF data Show

ATOM        11
            1   C1z C    26.1562  -21.2986
            2   O7x O    27.2907  -20.4683
            3   C2x C    26.5949  -22.6261
            4   C1b C    24.8229  -20.8658
            5   C1a C    25.1680  -22.2869
            6   C7x C    28.4253  -21.2986
            7   C2x C    27.9925  -22.6261
            8   C6a C    24.5305  -19.4975
            9   O6a O    29.7586  -20.8658
            10  O6a O    25.5714  -18.5617
            11  O6a O    23.2032  -19.0647
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     6   9 2
            9     8  10 1
            10    8  11 2
            11    6   7 1

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