KEGG   COMPOUND: C00596
Entry
C00596                      Compound                               
Name
2-Hydroxy-2,4-pentadienoate;
cis-2-Hydroxypenta-2,4-dienoate;
Oxopent-4-enoate;
2-Oxopent-4-enoate;
2-Hydroxypenta-2,4-dienoate
Formula
C5H6O3
Exact mass
114.0317
Mol weight
114.0993
Structure
Reaction
R02601 R02602 R02603 R02604 R02605 R02606 R05138 R05359
R05360 R05362 R05364 R05365 R05366 R06789 R07802
Pathway
map00360  Phenylalanine metabolism
map00362  Benzoate degradation
map00621  Dioxin degradation
map00622  Xylene degradation
map00642  Ethylbenzene degradation
map00643  Styrene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00539  Cumate degradation, p-cumate => 2-oxopent-4-enoate + 2-methylpropanoate
M00543  Biphenyl degradation, biphenyl => 2-oxopent-4-enoate + benzoate
M00544  Carbazole degradation, carbazole => 2-oxopent-4-enoate + anthranilate
M00545  Trans-cinnamate degradation, trans-cinnamate => acetyl-CoA
M00569  Catechol meta-cleavage, catechol => acetyl-CoA / 4-methylcatechol => propanoyl-CoA
Enzyme
3.7.1.8         3.7.1.9         3.7.1.13        3.7.1.14        
3.7.1.25        3.7.1.-         4.1.1.77        4.2.1.80        
4.5.1.4
Other DBs
CAS: 159694-16-3
PubChem: 3873
ChEBI: 1113 11641 37319
3DMET: B00144
NIKKAJI: J2.142.292D
LinkDB
KCF data

ATOM        8
            1   O6a O    12.1800  -22.7500
            2   C6a C    12.1959  -21.3501
            3   C2c C    13.4162  -20.6639
            4   O6a O    10.9797  -20.6293
            5   C2b C    14.6318  -21.3845
            6   O1a O    13.4321  -19.2500
            7   C2b C    14.6318  -22.7845
            8   C2a C    15.8278  -23.4748
BOND        7
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 2
            5     3   6 1
            6     5   7 1
            7     7   8 2

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