KEGG   COMPOUND: C05600Help
Entry
C05600                      Compound                               

Name
2-Hydroxyhepta-2,4-dienedioate;
2-Hydroxyhepta-2,4-diene-1,7-dioate
Formula
C7H8O5
Exact mass
172.0372
Mol weight
172.1354
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00533  Homoprotocatechuate degradation, homoprotocatechuate => 2-oxohept-3-enedioate
Enzyme
4.1.1.68        4.2.1.-         5.3.3.-
Other DBs
PubChem: 7923
ChEBI: 1162
3DMET: B00804
NIKKAJI: J2.756.600F
LinkDB All DBs
KCF data Show

ATOM        12
            1   C2b C    25.7215  -23.5438
            2   C2b C    24.4996  -22.8422
            3   C2c C    26.9374  -22.8365
            4   C2b C    23.2894  -23.5497
            5   C6a C    28.1534  -23.5321
            6   O1a O    26.9374  -21.4391
            7   C1b C    22.0792  -22.8539
            8   O6a O    29.3578  -22.8305
            9   O6a O    28.1534  -24.9294
            10  C6a C    20.8691  -23.5555
            11  O6a O    19.6530  -22.8599
            12  O6a O    20.8748  -24.9528
BOND        11
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     7  10 1
            10   10  11 1
            11   10  12 2

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