RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136358
RefMet name2-Methylhippuric acid
Systematic name2-[(2-methylphenyl)formamido]acetic acid
SynonymsPubChem Synonyms
Exact mass193.073894 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H11NO3View other entries in RefMet with this formula
Molecular descriptors
Molfile41498 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyYOEBAVRJHRCKRE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCc1ccccc1C(=O)NCC(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzamides
Sub ClassHippuric acids
Distribution of 2-Methylhippuric acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 2-Methylhippuric acid
External Links
Pubchem CID91637
ChEBI ID68455
KEGG IDC01586
HMDB IDHMDB0011723
Chemspider ID82742
EPA CompToxDTXCID00117309
Spectral data for 2-Methylhippuric acid standards
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 2-Methylhippuric acid

Rxn IDKEGG ReactionEnzyme
R02452 Benzoyl-CoA + Glycine <=> CoA + Hippuratebenzoyl-CoA:glycine N-benzoyltransferase

Table of KEGG human pathways containing 2-Methylhippuric acid

Pathway IDHuman Pathway# of reactions
hsa00360 Phenylalanine metabolism 1
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