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CHEBI:189007 - 4-formylbenzoate

Default Structure
ChEBI IDCHEBI:189007
ChEBI Name4-formylbenzoate
Stars
DefinitionA benzoate that is the conjugate base of 4-formylbenzoic acid arising from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
Last Modified14 April 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H5O3
Net Charge-1
Average Mass149.125
Monoisotopic Mass149.02442
SMILES[H]C(=O)c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)/p-1
InChIKeyGOUHYARYYWKXHS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-formylbenzoate (CHEBI:189007) is a benzoates (CHEBI:22718)
4-formylbenzoate (CHEBI:189007) is conjugate base of 4-formylbenzoic acid (CHEBI:191179)
Incoming Relation(s)
4-formylbenzoic acid (CHEBI:191179) is conjugate acid of 4-formylbenzoate (CHEBI:189007)
IUPAC Name 
4-formylbenzoate
Synonyms  Source
4-carboxybenzaldehyde(1−)ChEBI
4-formylbenzoic acid anionChEBI
p-carboxybenzaldehyde(1−)ChEBI
terephthalaldehydic acid anionChEBI
UniProt Name  Source
4-carboxybenzaldehydeUniProt
Manual XrefsDatabases
4-CARBOXYBENZALDEHYDEMetaCyc
Citations