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 search
Reaction
Pathway
map00350  Tyrosine metabolism
map01120  Microbial metabolism in diverse environments
map01220  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: 7231
ChEBI: 17142
3DMET: B00741
NIKKAJI: J1.427.764A
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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