KEGG   COMPOUND: C12833
Entry
C12833                      Compound                               
Name
2,3,5-Trichloro-cis,cis-muconate;
2,3,5-Trichloro-cis,cis-muconic acid
Formula
C6H3Cl3O4
Exact mass
243.9097
Mol weight
245.4446
Structure
Reaction
R06833 R06834
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.-       5.5.1.7
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0109 Halogenated fatty acids
    C12833  2,3,5-Trichloro-cis,cis-muconic acid
Other DBs
PubChem: 583222
ChEBI: 19298 31069
LIPIDMAPS: LMFA01090150
NIKKAJI: J2.783.856A
LinkDB
KCF data

ATOM        13
            1   O6a O    25.2243  -18.3510
            2   C6a C    26.4350  -17.6471
            3   C2c C    27.6456  -18.3439
            4   C2b C    28.8563  -17.6401
            5   C2c C    28.8532  -16.2394
            6   C2c C    30.0656  -15.5399
            7   X   Cl   30.1326  -14.1393
            8   C6a C    31.2812  -16.2342
            9   O6a O    31.2843  -17.6347
            10  O6a O    32.4936  -15.5346
            11  O6a O    26.4320  -16.2465
            12  X   Cl   27.6486  -19.7446
            13  X   Cl   27.6376  -15.5453
BOND        12
            1     6   7 1
            2     3   4 2
            3     6   8 1
            4     8   9 1
            5     4   5 1
            6     8  10 2
            7     2   3 1
            8     2  11 1
            9     5   6 2
            10    3  12 1
            11    1   2 2
            12    5  13 1

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