COMPOUND: C18243
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Entry
C18243 Compound
Name
2,3,5-Trichloromaleylacetate
Formula
C6H3Cl3O5
Exact mass
259.9046
Mol weight
261.44
Structure
Mol file
KCF file
DB search
Reaction
R09136
R09137
R09138
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.1.32
3.1.1.45
Other DBs
PubChem:
103061425
ChEBI:
19297
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KCF data
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ATOM 14
1 O6a O 23.6053 -20.7491
2 C6a C 24.8150 -20.0487
3 C2c C 26.0247 -20.7491
4 C2c C 27.2344 -20.0487
5 O6a O 24.8150 -18.6480
6 X Cl 26.0247 -22.1498
7 C5a C 27.2344 -18.6480
8 C1c C 28.4475 -17.9476
9 O5a O 26.0213 -17.9476
10 X Cl 29.6605 -18.6480
11 C6a C 28.4475 -16.5469
12 O6a O 29.6605 -15.8465
13 O6a O 27.2344 -15.8465
14 X Cl 28.4315 -20.7385
BOND 13
1 4 7 1
2 3 4 2
3 7 8 1
4 7 9 2
5 2 5 2
6 8 10 1
7 2 3 1
8 8 11 1
9 3 6 1
10 11 12 1
11 1 2 1
12 11 13 2
13 4 14 1
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