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4-phenylbutyric acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM101990

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₀H₁₂O₂

charge

mass

164.08373

reference

chebi:41500

InChIKey

OBKXEAXTFZPCHS-UHFFFAOYSA-N

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)

SMILES

O=C(O)CCCc1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:41500 chebi:41500	4-phenylbutyric acid 4-PHENYL-BUTANOIC ACID 4-Phenyl-n-butyric acid 4-phenylbutanoic acid Benzenebutyric acid PBA gamma-Phenyl-n-butyric acid gamma-phenylbutyric acid omega-Phenylbutanoic acid omega-phenylbutyric acid
kegg.compound:C21793 keggC:C21793	4-Phenylbutyrate 4-Phenylbutanoate 4-Phenylbutyric acid
metacyc.compound:CPD-14367 metacycM:CPD-14367	4-phenylbutanoate 4-phenylbutanoic acid 4-phenylbutyrate 4-phenylbutyric acid benzenebutanoic acid benzenebutyric acid
seed.compound:cpd24322 seedM:cpd24322	4-phenylbutanoic acid 4-phenylbutanoate 4-phenylbutyrate 4-phenylbutyric acid benzenebutanoic acid benzenebutyric acid
CHEBI:75317 chebi:75317	4-phenylbutyrate 4-phenylbutanoate
hmdb:HMDB0000543	Benzenebutanoic acid 4-PHENYL-butanoIC ACID 4-PHENYL-butanoate 4-Phenyl-N-butyrate 4-Phenyl-N-butyric acid 4-Phenyl-butyrate 4-Phenyl-butyric acid 4-Phenylbutanoate 4-Phenylbutanoic acid 4-Phenylbutyrate 4-Phenylbutyric acid 4-Phenylbutyric acid, calcium salt 4-Phenylbutyric acid, sodium salt 4-phenylbutanoic acid 4-phenylbutyric acid Ammonaps Benzenebutanoate Benzenebutyrate Benzenebutyric acid Buphenyl Omega-phenylbutanoate Omega-phenylbutanoic acid Omega-phenylbutyrate Omega-phenylbutyric acid PBA Phenylbutyrate Sodium 4-phenylbutanoate Sodium 4-phenylbutyrate Sodium phenylbutyrate W-Phenylbutanoate W-Phenylbutanoic acid g-Phenyl-N-butyrate g-Phenyl-N-butyric acid g-Phenyl-butyrate g-Phenyl-butyric acid g-Phenylbutanoate g-Phenylbutanoic acid g-Phenylbutyrate g-Phenylbutyric acid gamma-Phenyl-N-butyrate gamma-Phenyl-N-butyric acid gamma-Phenyl-butyrate gamma-Phenyl-butyric acid gamma-Phenylbutanoate gamma-Phenylbutanoic acid gamma-Phenylbutyrate gamma-Phenylbutyric acid gamma-phenyl-N-butyrate gamma-phenyl-N-butyric acid gamma-phenylbutyrate gamma-phenylbutyric acid
hmdb:HMDB00543 chebi:64058 keggC:M_C21793 seedM:M_cpd24322	secondary/obsolete/fantasy identifier