KEGG   COMPOUND: C00628Help
Entry
C00628                      Compound                               

Name
2,5-Dihydroxybenzoate;
2,5-Dihydroxybenzoic acid;
Gentisic acid;
Hydroquinonecarboxylic acid;
Gentisate
Formula
C7H6O4
Exact mass
154.0266
Mol weight
154.1201
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00350  Tyrosine metabolism
map00362  Benzoate degradation
map00626  Naphthalene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Module
M00638  Salicylate degradation, salicylate => gentisate
Enzyme
1.2.1.29        1.2.3.1         1.13.11.4       1.14.13.24      
1.14.13.172     4.1.1.62
Other DBs
CAS: 490-79-9
PubChem: 3901
ChEBI: 17189
ChEMBL: CHEMBL1461
KNApSAcK: C00002648
PDB-CCD: GTQ[PDBj]
3DMET: B00149
NIKKAJI: J6.046A
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    22.1200  -15.7976
            2   C8y C    23.3369  -16.4957
            3   C8x C    20.9096  -16.4957
            4   C6a C    22.1137  -14.4014
            5   C8x C    23.3369  -17.9047
            6   O1a O    24.5411  -15.7912
            7   C8y C    20.9096  -17.9047
            8   O6a O    23.3176  -13.7034
            9   O6a O    20.9031  -13.7097
            10  C8x C    22.1200  -18.6157
            11  O1a O    19.6989  -18.5901
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  11 1
            11    7  10 2

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