CHEBI:16918 - gallate

ChEBI IDCHEBI:16918
ChEBI Namegallate
Stars
DefinitionA trihydroxybenzoate that is the conjugate base of gallic acid.
Secondary ChEBI IDsCHEBI:11686, CHEBI:14291, CHEBI:24178
Last Modified10 March 2017
DownloadsMolfile
FormulaC7H5O5
Net Charge-1
Average Mass169.112
Monoisotopic Mass169.01425
SMILESO=C([O-])c1cc(O)c(O)c(O)c1
InChIInChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)/p-1
InChIKeyLNTHITQWFMADLM-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-trihydroxybenzoateUniProt
Manual XrefsDatabases
C01424KEGG COMPOUND
c0006UM-BBD
CPD-183MetaCyc
Registry NumbersSources
Gmelin:328003Gmelin
Reaxys:3907457Reaxys