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CHEBI:185887 - m-Trifluoromethylhippuric acid

ChEBI IDCHEBI:185887
ChEBI Namem-Trifluoromethylhippuric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8F3NO3
Net Charge0
Average Mass247.172
Monoisotopic Mass247.04563
SMILESO=C(O)CNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)7-3-1-2-6(4-7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)
InChIKeyZDGGJQMSELMHLK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
m-Trifluoromethylhippuric acid (CHEBI:185887) has functional parent N-benzoylglycine (CHEBI:18089)
m-Trifluoromethylhippuric acid (CHEBI:185887) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
2-[[3-(triluoromethyl)benzoyl]amino]acetic acid
Manual XrefsDatabases
2057711ChemSpider
Registry NumbersSources
CAS:17794-48-8ChemIDplus