CHEBI:75317 - 4-phenylbutyrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-phenylbutyrate
ChEBI ID CHEBI:75317
Definition A carboxylic acid anion obtained by the removal of proton from the carboxy group of 4-phenylbutyric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H11O2
Net Charge -1
Average Mass 163.19310
Monoisotopic Mass 163.07645
InChI InChI=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
InChIKey OBKXEAXTFZPCHS-UHFFFAOYSA-M
SMILES [O-]C(=O)CCCc1ccccc1
ChEBI Ontology
Outgoing 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 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 Xrefs Databases
CPD-14367 MetaCyc
LSM-6715 LINCS
View more database links
Registry Number Type Source
3665832 Reaxys Registry Number Reaxys
Last Modified
25 February 2016