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ChEBI
> Main
CHEBI:68500 -
m
-methylhippuric acid
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ChEBI Name
m
-methylhippuric acid
ChEBI ID
CHEBI:68500
ChEBI ASCII Name
m-methylhippuric acid
Definition
An
N
-acylglycine that is the 3-methyl derivative of hippuric acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H11NO3
Net Charge
0
Average Mass
193.19920
Monoisotopic Mass
193.07389
InChI
InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey
YKAKNMHEIJUKEX-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)C(=O)NCC(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
m
-methylhippuric acid (
CHEBI:68500
)
has functional parent
N
-benzoylglycine (
CHEBI:18089
)
m
-methylhippuric acid (
CHEBI:68500
)
has role
metabolite (
CHEBI:25212
)
m
-methylhippuric acid (
CHEBI:68500
)
is a
N
-acylglycine (
CHEBI:16180
)
IUPAC Name
N
-(3-methylbenzoyl)glycine
Synonym
Source
3-methylhippuric acid
ChEBI
Manual Xref
Database
HMDB0013245
HMDB
View more database links
Registry Numbers
Types
Sources
2103978
Reaxys Registry Number
Reaxys
27115-49-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
12 March 2018