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 search
Reaction
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
3DMET: B00744
NIKKAJI: J2.368.888C
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

» Japanese version

DBGET integrated database retrieval system