gallate (CHEBI:16918)

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ChEBI Name	gallate

ChEBI ID	CHEBI:16918

Definition	A trihydroxybenzoate that is the conjugate base of gallic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11686, CHEBI:24178, CHEBI:14291

Supplier Information	ZINC000008219952

Download	Molfile XML SDF

Formula

C7H5O5

Net Charge

-1

Average Mass

169.11160

Monoisotopic Mass

169.01425

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

SMILES

Oc1cc(cc(O)c1O)C([O-])=O

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	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	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

Synonym	Source
3,4,5-trihydroxybenzoate	UniProt

Last Modified

10 March 2017