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:71167 -
N
-benzoylalanine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N
-benzoylalanine
ChEBI ID
CHEBI:71167
ChEBI ASCII Name
N-benzoylalanine
Definition
An
N
-acylamino acid that is the
N
-benzoyl derivative of alanine.
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
Formula
C10H11NO3
Net Charge
0
Average Mass
193.19920
Monoisotopic Mass
193.07389
InChI
InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
InChIKey
UAQVHNZEONHPQG-UHFFFAOYSA-N
SMILES
CC(NC(=O)c1ccccc1)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-benzoylalanine (
CHEBI:71167
)
has role
metabolite (
CHEBI:25212
)
N
-benzoylalanine (
CHEBI:71167
)
is a
N
-acyl-amino acid (
CHEBI:51569
)
N
-benzoylalanine (
CHEBI:71167
)
is a
alanine derivative (
CHEBI:22278
)
Incoming
N
-benzoyl-
L
-alanine (
CHEBI:71166
)
is a
N
-benzoylalanine (
CHEBI:71167
)
Synonyms
Sources
α-methylhippuric acid
ChEBI
Benzoyl-DL-alanine
ChemIDplus
benzoylalanine
ChEBI
dl-N-Benzoylalanine
NIST Chemistry WebBook
methylhippuric acid
ChEBI
N-Benzoyl-DL-alanine
ChemIDplus
Registry Numbers
Types
Sources
1205-02-3
CAS Registry Number
ChemIDplus
1205-02-3
CAS Registry Number
NIST Chemistry WebBook
643664
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22770225
PubMed citation
Europe PMC
4053389
PubMed citation
Europe PMC
Last Modified
16 November 2012