KEGG   COMPOUND: C04729Help
Entry
C04729                      Compound                               
Name
trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide;
trans-2-Chlorodienelactone
Formula
C6H3ClO4
Exact mass
173.972
Mol weight
174.5386
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Chlorocyclohexane and chlorobenzene degradation
Metabolic pathways
Microbial metabolism in diverse environments
Enzyme
5.2.1.10        5.5.1.7         5.5.1.11
Other DBs
CAS: 
22752-93-8
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        11
            1   C2y C    31.8500  -14.0700
            2   C7x C    31.4300  -12.7400
            3   C2x C    33.2500  -14.0700
            4   X   Cl   31.0100  -15.2600
            5   O7x O    32.5500  -11.9700
            6   O6a O    30.1000  -12.3200
            7   C2y C    33.6700  -12.7400
            8   C2b C    35.0000  -12.3200
            9   C6a C    35.2800  -10.9200
            10  O6a O    36.6100  -10.5000
            11  O6a O    34.2300  -10.0100
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     7   8 2
            8     5   7 1
            9     8   9 1
            10    9  10 1
            11    9  11 2

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