COMPOUND: C04706
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Entry
C04706 Compound
Name
cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide;
cis-2-Chlorodienelactone;
cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide
Formula
C6H3ClO4
Exact mass
173.972
Mol weight
174.5386
Structure
Mol file
KCF file
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Reaction
R04576
R05511
R10097
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
3.1.1.45
5.2.1.10
Other DBs
CAS:
115793-61-8
PubChem:
7279
ChEBI:
16211
3DMET:
B00743
NIKKAJI:
J2.368.889A
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KCF data
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ATOM 11
1 C2y C 23.1499 -19.0836
2 C7x C 22.7289 -17.7507
3 C2x C 24.5530 -19.0836
4 X Cl 22.3080 -20.2763
5 O7x O 23.8514 -16.9789
6 O6a O 21.3960 -17.3297
7 C2y C 24.9739 -17.7507
8 C2b C 26.2024 -17.0800
9 C6a C 27.4149 -17.7800
10 O6a O 28.6273 -17.0800
11 O6a O 27.4149 -19.1798
BOND 11
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 9 11 2
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