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> Main
CHEBI:70869 - methyl hippurate
Main
ChEBI Ontology
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ChEBI Name
methyl hippurate
ChEBI ID
CHEBI:70869
Definition
A glycine derivative that is the methyl ester 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/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChIKey
XTKVNQKOTKPCKM-UHFFFAOYSA-N
SMILES
COC(=O)CNC(=O)c1ccccc1
Roles Classification
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
methyl hippurate (
CHEBI:70869
)
has functional parent
N
-benzoylglycine (
CHEBI:18089
)
methyl hippurate (
CHEBI:70869
)
has role
metabolite (
CHEBI:25212
)
methyl hippurate (
CHEBI:70869
)
is a
glycine derivative (
CHEBI:24373
)
methyl hippurate (
CHEBI:70869
)
is a
methyl ester (
CHEBI:25248
)
IUPAC Names
methyl (benzoylamino)acetate
methyl
N
-benzoylglycinate
Synonyms
Sources
Hippurate methyl ester
HMDB
Hippuric acid methyl ester
HMDB
N
-benzoyl-Glycine methyl ester
HMDB
N
-Benzoylglycine methyl ester
HMDB
Manual Xref
Database
HMDB0000859
HMDB
View more database links
Registry Numbers
Types
Sources
1205-08-9
CAS Registry Number
ChemIDplus
1912254
Reaxys Registry Number
Reaxys
Last Modified
06 March 2015