COMPOUND: C12835
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Entry
C12835 Compound
Name
2,5-Dichloro-4-oxohex-2-enedioate;
2,5-Dichloro-4-oxohex-2-enedioic acid
Formula
C6H4Cl2O5
Exact mass
225.9436
Mol weight
226.999
Structure
Mol file
KCF file
DB search
Reaction
R06835
R06848
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.1.32
3.1.1.45
Other DBs
PubChem:
583224
ChEBI:
177587
19373
31074
LIPIDMAPS:
LMFA01090152
NIKKAJI:
J2.783.869C
LinkDB
All DBs
KCF data
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ATOM 13
1 O6a O 25.8453 -18.7191
2 C6a C 27.0550 -18.0187
3 C2c C 28.2647 -18.7191
4 C2b C 29.4744 -18.0187
5 O6a O 27.0550 -16.6180
6 X Cl 28.2647 -20.1198
7 C5a C 29.4744 -16.6180
8 C1c C 30.6875 -15.9176
9 O5a O 28.2613 -15.9176
10 X Cl 31.9005 -16.6180
11 C6a C 30.6875 -14.5169
12 O6a O 31.9005 -13.8165
13 O6a O 29.4744 -13.8165
BOND 12
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
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