KEGG   COMPOUND: C04324
Entry
C04324                      Compound                               
Name
(1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylate;
2-Hydroxy-4-carboxyhexa-2,4-dienedioate;
4-Carboxy-2-hydroxy-cis,cis-muconate;
4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate;
(1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
Formula
C7H6O7
Exact mass
202.0114
Mol weight
202.1183
Structure
Comment
4-oxalomesaconate (keto tautomer) [CPD:C04434]
Reaction
R03550 R04399 R04453 R04482 R07839
Pathway
map00362  Benzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.8       1.13.11.57      4.2.1.-         5.3.2.8         
5.3.3.10
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C04324  (1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
Other DBs
PubChem: 6979
ChEBI: 17424
LIPIDMAPS: LMFA01170072
3DMET: B00701
NIKKAJI: J2.374.674C
LinkDB
KCF data

ATOM        14
            1   C2c C    18.0492  -17.7154
            2   C2b C    18.0492  -16.4168
            3   C2b C    16.8089  -18.4520
            4   C6a C    18.7857  -18.9170
            5   C2c C    19.2704  -15.7125
            6   C6a C    15.5942  -17.7477
            7   O6a O    18.1075  -20.1512
            8   O6a O    20.1878  -18.8718
            9   C6a C    20.4849  -16.4168
            10  O1a O    19.2704  -14.3105
            11  O6a O    15.6006  -16.3456
            12  O6a O    14.3795  -18.4583
            13  O6a O    20.4786  -17.8187
            14  O6a O    21.6996  -15.7060
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    9  13 1
            13    9  14 2

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