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CHEBI:229983 - N-(4-Cyanophenyl)glycine

ChEBI IDCHEBI:229983
ChEBI NameN-(4-Cyanophenyl)glycine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8N2O2
Net Charge0
Average Mass176.175
Monoisotopic Mass176.05858
SMILESN#Cc1ccc(NCC(=O)O)cc1
InChIInChI=1S/C9H8N2O2/c10-5-7-1-3-8(4-2-7)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)
InChIKeyKJRQMXRCZULRHF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-(4-Cyanophenyl)glycine (CHEBI:229983) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-(4-cyanoanilino)acetic acid
Manual XrefsDatabases
714611ChemSpider