COMPOUND: C04558
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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 file
KCF file
DB search
Reaction
R04510
R09225
R09229
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
LinkDB
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KCF data
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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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