COMPOUND: C04522
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Entry
C04522 Compound
Name
2-Chloro-2,5-dihydro-5-oxofuran-2-acetate;
5-Chloro-2,5-dihydro-2-oxofuran-5-acetate;
2-Chloro-5-oxo-2,5-dihydrofuran-2-acetate;
(2R)-2-Chloro-2,5-dihydro-5-oxofuran-2-acetate;
(+)-4-Chloromuconolactone
Formula
C6H5ClO4
Exact mass
175.9876
Mol weight
176.5545
Structure
Mol file
KCF file
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Reaction
R04259
R04500
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
5.5.1.7
Other DBs
PubChem:
7134
ChEBI:
17337
3DMET:
B00726
NIKKAJI:
J316.368G
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KCF data
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ATOM 11
1 C7x C 16.3875 -15.9151
2 C2x C 16.8321 -17.2324
3 C2x C 18.2223 -17.2166
4 C1z C 18.6370 -15.8896
5 O7x O 17.5030 -15.0852
6 O6a O 15.0712 -15.5036
7 C1b C 19.8337 -15.2004
8 C6a C 21.0378 -15.8955
9 O6a O 22.2418 -15.2004
10 O6a O 21.0378 -17.2857
11 X Cl 19.8982 -16.7336
BOND 11
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 4 11 1 #Down
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