KEGG   COMPOUND: C03453
Entry
C03453                      Compound                               
Name
gamma-Oxalocrotonate;
(Z)-5-Oxohex-2-enedioate;
4-Oxalocrotonate;
(2Z)-5-Oxohex-2-enedioic acid
Formula
C6H6O5
Exact mass
158.0215
Mol weight
158.1088
Structure
Reaction
Pathway
map00362  Benzoate degradation
map00380  Tryptophan metabolism
map00621  Dioxin degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00569  Catechol meta-cleavage, catechol => acetyl-CoA / 4-methylcatechol => propanoyl-CoA
Enzyme
1.13.11.35      3.5.99.5        4.1.1.77        4.1.1.-         
5.3.2.6
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C03453  (2Z)-5-Oxohex-2-enedioic acid
Other DBs
PubChem: 6273
ChEBI: 16967 32808
LIPIDMAPS: LMFA01170133
3DMET: B00584
NIKKAJI: J2.366.164K
LinkDB
KCF data

ATOM        11
            1   C1b C    25.6135  -15.7797
            2   C5a C    26.8196  -15.0853
            3   C2b C    25.6135  -17.1765
            4   C6a C    28.0385  -15.7797
            5   O5a O    26.8196  -13.6883
            6   C2b C    24.4002  -17.8852
            7   O6a O    28.1025  -17.1765
            8   O6a O    29.2518  -15.0795
            9   C6a C    23.1883  -17.1765
            10  O6a O    23.1940  -15.7797
            11  O6a O    21.9750  -17.8911
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     6   9 1
            9     9  10 1
            10    9  11 2

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