KEGG   COMPOUND: C01424Help
Entry
C01424                      Compound                               

Name
Gallate;
Gallic acid;
3,4,5-Trihydroxybenzoic acid;
3,4,5-Trihydroxybenzoate;
Pyrogallol-5-carboxylic acid
Formula
C7H6O5
Exact mass
170.0215
Mol weight
170.1195
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00627  Aminobenzoate degradation
map01061  Biosynthesis of phenylpropanoids
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.3       1.13.11.8       1.13.11.57      2.1.1.341       
2.4.1.136       3.1.1.20        4.1.1.59
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Galloyl derivatives
    C01424  Gallate
BRITE hierarchy
Other DBs
CAS: 149-91-7
PubChem: 4609
ChEBI: 16918 30778
ChEMBL: CHEMBL288114
KNApSAcK: C00002647
PDB-CCD: GDE[PDBj]
3DMET: B00289
NIKKAJI: J7.408J
KCF data Show

ATOM        12
            1   C8y C    22.1200  -15.1127
            2   C8x C    20.9090  -15.8112
            3   C8x C    23.3375  -15.8112
            4   C6a C    22.1137  -13.9323
            5   C8y C    20.9090  -17.2208
            6   C8y C    23.3375  -17.2208
            7   O6a O    23.3182  -13.2338
            8   O6a O    20.9025  -13.2401
            9   C8y C    22.1200  -17.9322
            10  O1a O    19.6978  -17.9128
            11  O1a O    24.5485  -17.9128
            12  O1a O    22.1137  -19.3290
BOND        12
            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    6  11 1
            11    9  12 1
            12    6   9 1

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