KEGG   COMPOUND: C01161Help
Entry
C01161                      Compound                               

Name
3,4-Dihydroxyphenylacetate;
3,4-Dihydroxyphenylacetic acid;
Homoprotocatechuate
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
map04728  Dopaminergic synapse
map05030  Cocaine addiction
map05031  Amphetamine addiction
map05034  Alcoholism
Module
M00533  Homoprotocatechuate degradation, homoprotocatechuate => 2-oxohept-3-enedioate
Enzyme
1.2.1.5         1.2.1.29        1.13.11.15      1.14.12.9       
1.14.14.9       2.1.1.6
Other DBs
CAS: 102-32-9
PubChem: 4388
ChEBI: 17612 41941
ChEMBL: CHEMBL1284
KNApSAcK: C00040996
PDB-CCD: DHY[PDBj]
3DMET: B00250
NIKKAJI: J804D
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    24.5000  -22.4700
            2   C8x C    23.2400  -21.7700
            3   C8x C    24.5000  -23.8700
            4   C1b C    25.6900  -21.7700
            5   C8y C    22.0500  -22.5400
            6   C8x C    23.3100  -24.5700
            7   C6a C    26.8800  -22.4700
            8   C8y C    22.0500  -23.9400
            9   O1a O    20.8600  -21.8400
            10  O6a O    28.1400  -21.7700
            11  O6a O    26.8800  -23.8700
            12  O1a O    20.8600  -24.6400
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    8  12 1
            12    6   8 2

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