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CHEBI:180538 - 3-methoxybenzoate

Default Structure
ChEBI IDCHEBI:180538
ChEBI Name3-methoxybenzoate
Stars
DefinitionA methoxybenzoate that is the conjugate base of 3-methoxybenzoic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified27 September 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H7O3
Net Charge-1
Average Mass151.141
Monoisotopic Mass151.04007
SMILESCOc1cccc(C(=O)[O-])c1
InChIInChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKeyXHQZJYCNDZAGLW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-methoxybenzoate (CHEBI:180538) is a methoxybenzoate (CHEBI:25236)
3-methoxybenzoate (CHEBI:180538) is conjugate base of 3-methoxybenzoic acid (CHEBI:88458)
Incoming Relation(s)
3-methoxybenzoic acid (CHEBI:88458) is conjugate acid of 3-methoxybenzoate (CHEBI:180538)
IUPAC Name 
3-methoxybenzoate
Synonyms  Source
3-methoxybenzoic acid anionChEBI
m-methoxybenzoateChEBI
UniProt Name  Source
3-methoxybenzoateUniProt
Manual XrefsDatabases
CPD-12220MetaCyc
Citations