Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:40131 - 5-phenylpentanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
5-phenylpentanoic acid
ChEBI ID
CHEBI:40131
Definition
A monocarboxylic acid that is valeric acid substituted by a phenyl group at the δ-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
Formula
C11H14O2
Net Charge
0
Average Mass
178.22770
Monoisotopic Mass
178.09938
InChI
InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKey
BYHDDXPKOZIZRV-UHFFFAOYSA-N
SMILES
OC(=O)CCCCc1ccccc1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-phenylpentanoic acid (
CHEBI:40131
)
has functional parent
valeric acid (
CHEBI:17418
)
5-phenylpentanoic acid (
CHEBI:40131
)
is a
benzenes (
CHEBI:22712
)
5-phenylpentanoic acid (
CHEBI:40131
)
is a
monocarboxylic acid (
CHEBI:25384
)
IUPAC Name
5-phenylpentanoic acid
Synonyms
Sources
5-PHENYLVALERIC ACID
PDBeChem
Benzenepentanoic-acid
NIST Chemistry WebBook
δ-phenylvaleric acid
NIST Chemistry WebBook
Phenylpentanoic acid
ChemIDplus
Phenylvaleric acid
ChemIDplus
Manual Xrefs
Databases
5PV
PDBeChem
HMDB0002043
HMDB
View more database links
Registry Numbers
Types
Sources
2049062
Reaxys Registry Number
Reaxys
2270-20-4
CAS Registry Number
NIST Chemistry WebBook
2270-20-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22223342
PubMed citation
Europe PMC
6101142
PubMed citation
Europe PMC
Last Modified
13 May 2014