KEGG   COMPOUND: C01061
Entry
C01061                      Compound                               
Name
4-Fumarylacetoacetate;
4-Fumarylacetoacetic acid;
Fumarylacetoacetate;
(2E)-4,6-Dioxooct-2-enedioic acid
Formula
C8H8O6
Exact mass
200.0321
Mol weight
200.1455
Structure
Reaction
Pathway
map00350  Tyrosine metabolism
map00643  Styrene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Module
M00044  Tyrosine degradation, tyrosine => homogentisate
Enzyme
3.7.1.2         5.2.1.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C01061  (2E)-4,6-Dioxooct-2-enedioic acid
Other DBs
CAS: 28613-33-4
PubChem: 4300
ChEBI: 18034 30907
LIPIDMAPS: LMFA01170066
KNApSAcK: C00007599
3DMET: B00233
NIKKAJI: J817.612D
KCF data

ATOM        14
            1   C5a C    27.4626  -15.0691
            2   C1b C    28.6737  -15.7711
            3   C1b C    27.4626  -13.6709
            4   O5a O    26.2456  -15.7711
            5   C5a C    28.6737  -17.1695
            6   C6a C    28.6737  -12.9688
            7   C2b C    27.4626  -17.8715
            8   O5a O    29.8847  -17.8715
            9   O6a O    29.8847  -13.6709
            10  O6a O    28.6737  -11.5706
            11  C2b C    27.4626  -19.2697
            12  C6a C    26.2456  -19.9718
            13  O6a O    25.0346  -19.2697
            14  O6a O    26.2456  -21.3700
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     5   8 2
            8     6   9 1
            9     6  10 2
            10    7  11 2
            11   11  12 1
            12   12  13 1
            13   12  14 2

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