KEGG   COMPOUND: C04642Help
Entry
C04642                      Compound                               

Name
2-Hydroxy-5-carboxymethylmuconate semialdehyde;
5-Carboxymethyl-2-hydroxymuconate semialdehyde;
5-Carboxymethyl-2-hydroxymuconic semialdehyde
Formula
C8H8O6
Exact mass
200.0321
Mol weight
200.1455
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Tyrosine metabolism
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00533  
Homoprotocatechuate degradation, homoprotocatechuate => 2-oxohept-3-enedioate
Enzyme
1.1.1.312       1.2.1.60        1.13.11.15
Other DBs
CAS: 
2461-62-3
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        14
            1   C2c C    23.8864  -23.5612
            2   C2b C    25.0894  -22.8604
            3   C1b C    22.6716  -22.8663
            4   C4a C    23.8864  -24.9628
            5   C2b C    26.3099  -23.5555
            6   C6a C    21.4628  -23.5729
            7   O4a O    25.0951  -25.6578
            8   C2c C    27.5305  -22.8547
            9   O6a O    20.2539  -22.8780
            10  O6a O    21.4687  -24.9687
            11  C6a C    27.5188  -21.4473
            12  O1a O    28.7451  -23.5495
            13  O6a O    26.2281  -20.9099
            14  O6a O    28.7334  -20.7406
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 2
            8     6   9 1
            9     6  10 2
            10    8  11 1
            11    8  12 1
            12   11  13 1
            13   11  14 2

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