KEGG   COMPOUND: C03585
Entry
C03585                      Compound                               
Name
3-Chloro-cis,cis-muconate;
(2E,4Z)-3-Chlorohexa-2,4-dienedioate;
3-Chloro-cis,cis-muconic acid;
(2E,4Z)-3-Chlorohexa-2,4-dienedioic acid
Formula
C6H5ClO4
Exact mass
175.9876
Mol weight
176.55
Structure
Reaction
R04258 R04259 R05390 R05391
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.1       5.5.1.1         5.5.1.7
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0109 Halogenated fatty acids
    C03585  3-Chloro-cis,cis-muconic acid
Other DBs
CAS: 22752-96-1
PubChem: 6376
ChEBI: 1472
LIPIDMAPS: LMFA01090153
NIKKAJI: J2.369.060H
LinkDB
KCF data

ATOM        11
            1   C2c C    28.8094  -16.2271
            2   C2b C    28.8094  -17.6303
            3   C2b C    30.0196  -15.5254
            4   X   Cl   27.5992  -15.5254
            5   C2b C    27.5992  -18.3255
            6   C6a C    31.2361  -16.2271
            7   C6a C    26.3827  -17.6303
            8   O6a O    31.2297  -17.6240
            9   O6a O    32.4463  -15.5254
            10  O6a O    26.3892  -16.2271
            11  O6a O    25.1725  -18.3320
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 2
            9     7  10 1
            10    7  11 2

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