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CHEBI:16150 - benzoate

ChEBI IDCHEBI:16150
ChEBI Namebenzoate
Stars
DefinitionThe simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1.
Secondary ChEBI IDsCHEBI:13879, CHEBI:22717
Last Modified12 April 2016
DownloadsMolfile

FormulaC7H5O2
Net Charge-1
Average Mass121.115
Monoisotopic Mass121.02950
SMILESO=C([O-])c1ccccc1
InChIInChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKeyWPYMKLBDIGXBTP-UHFFFAOYSA-M

Roles Classification

ChEBI Ontology
IUPAC Name 
benzoate
Synonyms  Source
benzoate anionNIST Chemistry WebBook
benzoic acid, ion(1−)ChemIDplus
PhenylcarboxylateHMDB
BenzenecarboxylateHMDB
BenzeneformateHMDB
BenzenemethanoateHMDB
UniProt Name  Source
benzoateUniProt
Manual XrefsDatabases
C00180KEGG COMPOUND
c0121UM-BBD
BENZOATEMetaCyc
HMDB0001870HMDB
Registry NumbersSources
Gmelin:2945Gmelin
Reaxys:1862486Reaxys
CAS:766-76-7ChemIDplus
CAS:766-76-7NIST Chemistry WebBook