EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C7H5O5 |
| Net Charge | -1 |
| Average Mass | 169.112 |
| Monoisotopic Mass | 169.01425 |
| SMILES | O=C([O-])c1cc(O)c(O)c(O)c1 |
| InChI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)/p-1 |
| InChIKey | LNTHITQWFMADLM-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gallate (CHEBI:16918) has role human xenobiotic metabolite (CHEBI:76967) |
| gallate (CHEBI:16918) has role plant metabolite (CHEBI:76924) |
| gallate (CHEBI:16918) is a trihydroxybenzoate (CHEBI:36085) |
| gallate (CHEBI:16918) is conjugate base of gallic acid (CHEBI:30778) |
| Incoming Relation(s) |
| 3-O-methylgallate (CHEBI:19950) has functional parent gallate (CHEBI:16918) |
| sodium gallate (CHEBI:115197) has part gallate (CHEBI:16918) |
| gallic acid (CHEBI:30778) is conjugate acid of gallate (CHEBI:16918) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxybenzoate |
| UniProt Name | Source |
|---|---|
| 3,4,5-trihydroxybenzoate | UniProt |