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CHEBI:75317 - 4-phenylbutyrate
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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