KEGG   COMPOUND: C00230Help
Entry
C00230                      Compound                               

Name
3,4-Dihydroxybenzoate;
3,4-Dihydroxybenzoic acid;
Protocatechuate;
Protocatechuic acid
Formula
C7H6O4
Exact mass
154.0266
Mol weight
154.1201
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00362  Benzoate degradation
map00400  Phenylalanine, tyrosine and tryptophan biosynthesis
map00623  Toluene degradation
map00624  Polycyclic aromatic hydrocarbon degradation
map00627  Aminobenzoate degradation
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01130  Biosynthesis of antibiotics
map01220  Degradation of aromatic compounds
Module
M00623  Phthalate degradation, phthalate => protocatechuate
M00624  Terephthalate degradation, terephthalate => 3,4-dihydroxybenzoate
M00636  Phthalate degradation, phthalate => protocatechuate
Enzyme
1.3.1.53        1.13.11.3       1.13.11.8       1.13.11.-       
1.14.12.8       1.14.12.-       1.14.13.2       1.14.13.23      
1.14.13.33      1.14.13.64      1.14.13.82      1.14.13.-       
1.14.19.55      2.1.1.341       2.1.1.-         4.1.1.55        
4.1.1.63        4.1.1.69        4.2.1.118
Other DBs
CAS: 99-50-3
PubChem: 3529
ChEBI: 36062 36241
ChEMBL: CHEMBL37537
KNApSAcK: C00002668
PDB-CCD: DHB[PDBj]
3DMET: B00064
NIKKAJI: J11.618A
KCF data Show

ATOM        11
            1   C8y C    25.0487  -14.7888
            2   C8x C    26.2602  -15.4878
            3   C8x C    23.8313  -15.4878
            4   C6a C    25.0545  -13.3907
            5   C8y C    26.2602  -16.8915
            6   C8x C    23.8313  -16.8915
            7   O6a O    23.8429  -12.6917
            8   O6a O    26.2661  -12.6860
            9   C8y C    25.0487  -17.5905
            10  O1a O    27.4660  -17.5848
            11  O1a O    25.0545  -18.9885
BOND        11
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    9  11 1
            11    6   9 1

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