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> Main
CHEBI:16918 - gallate
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ChEBI Ontology
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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
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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.
View more via ChEBI Ontology
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
Reaxys Registry Number
Reaxys
Last Modified
10 March 2017