CHEBI:16918 - gallate

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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
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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.
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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
Manual Xrefs Databases
c0006 UM-BBD
C01424 KEGG COMPOUND
CPD-183 MetaCyc
View more database links
Registry Numbers Types Sources
328003 Gmelin Registry Number Gmelin
3907457 Beilstein Registry Number Beilstein
3907457 Reaxys Registry Number Reaxys
Last Modified
10 March 2017