KEGG   COMPOUND: C00682Help
Entry
C00682                      Compound                               

Name
2-Hydroxymuconate semialdehyde;
2-Hydroxymuconic semialdehyde;
2-Hydroxymuconate-6-semialdehyde
Formula
C6H6O4
Exact mass
142.0266
Mol weight
142.1094
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map00362  Benzoate 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
1.2.1.85        1.13.11.2       1.97.1.-        3.7.1.9         
4.1.1.-
Other DBs
CAS: 3270-98-2
PubChem: 3951
ChEBI: 17236 67110
3DMET: B00155
KCF data Show

ATOM        10
            1   O4a O    23.9091  -20.6401
            2   C4a C    25.1195  -19.9435
            3   C2b C    26.3296  -20.6401
            4   C2b C    27.5400  -19.9365
            5   C2b C    27.5329  -18.5362
            6   C2c C    28.7432  -17.8256
            7   C6a C    29.9535  -18.5291
            8   O1a O    28.7402  -16.4253
            9   O6a O    29.9464  -19.9295
            10  O6a O    31.1693  -17.8293
BOND        9
            1     2   3 1
            2     5   6 2
            3     1   2 2
            4     6   7 1
            5     3   4 2
            6     6   8 1
            7     7   9 1
            8     4   5 1
            9     7  10 2

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