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CHEBI:75317 - 4-phenylbutyrate

ChEBI IDCHEBI:75317
ChEBI Name4-phenylbutyrate
Stars
DefinitionA carboxylic acid anion obtained by the removal of proton from the carboxy group of 4-phenylbutyric acid.
Last Modified25 February 2016
Submitternamrata
DownloadsMolfile
FormulaC10H11O2
Net Charge-1
Average Mass163.196
Monoisotopic Mass163.07645
SMILESO=C([O-])CCCc1ccccc1
InChIInChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1
InChIKeyOBKXEAXTFZPCHS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-phenylbutyrate (CHEBI:75317) is a carboxylic acid anion (CHEBI:29067)
4-phenylbutyrate (CHEBI:75317) is conjugate base of 4-phenylbutyric acid (CHEBI:41500)
Incoming Relation(s)
sodium phenylbutyrate (CHEBI:75316) has part 4-phenylbutyrate (CHEBI:75317)
4-phenylbutyric acid (CHEBI:41500) is conjugate acid of 4-phenylbutyrate (CHEBI:75317)
IUPAC Name 
4-phenylbutanoate
Manual XrefsDatabases
CPD-14367MetaCyc
LSM-6715LINCS
Registry NumbersSources
Reaxys:3665832Reaxys