KEGG   COMPOUND: C04729
Entry
C04729                      Compound                               
Name
trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide;
trans-2-Chlorodienelactone
Formula
C6H3ClO4
Exact mass
173.9720
Mol weight
174.54
Structure
Reaction
R04576 R05392 R05393
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  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: 7300
ChEBI: 16773
NIKKAJI: J2.368.888C
LinkDB
KCF data

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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