COMPOUND: C18244
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Entry
C18244 Compound
Name
2,4-Dichloro-3-oxoadipate
Formula
C6H6Cl2O5
Exact mass
227.9592
Mol weight
229.0148
Structure
Mol file
KCF file
DB search
Reaction
R09137
R09138
R09139
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.1.32
Other DBs
PubChem:
103061426
ChEBI:
177909
19345
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KCF data
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ATOM 13
1 O6a O 22.3683 -19.3221
2 C6a C 23.5810 -18.6241
3 C1b C 24.7934 -19.3221
4 C1c C 26.0061 -18.6241
5 C5a C 27.2117 -19.3221
6 C1c C 28.4244 -18.6241
7 C6a C 29.6370 -19.3221
8 O6a O 30.8497 -18.6241
9 O6a O 23.5810 -17.2210
10 O5a O 27.2117 -20.7250
11 X Cl 28.4244 -17.2210
12 O6a O 29.6370 -20.7250
13 X Cl 26.0078 -17.2204
BOND 12
1 1 2 1
2 6 7 1
3 3 4 1
4 7 8 1
5 2 9 2
6 4 5 1
7 5 10 2
8 2 3 1
9 6 11 1
10 5 6 1
11 7 12 2
12 4 13 1
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