CHEBI:132546 - 3-cyanoalanine

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ChEBI Name 3-cyanoalanine ChEBI ID CHEBI:132546 Definition An alanine derivative obtained by replacement of one of the methyl hydrogens in alanine with a cyano group Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C4H6N2O2 Net Charge 0 Average Mass 114.103 Monoisotopic Mass 114.04293 InChI InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChIKey BXRLWGXPSRYJDZ-UHFFFAOYSA-N SMILES C(C#N)C(C(=O)O)N Metabolite of Species Details Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-cyanoalanine (CHEBI:132546) is a alanine derivative (CHEBI:22278) 3-cyanoalanine (CHEBI:132546) is a aliphatic nitrile (CHEBI:80291) 3-cyanoalanine (CHEBI:132546) is a non-proteinogenic α-amino acid (CHEBI:83925) IUPAC Name 2-amino-3-cyanopropanoic acid Synonyms Sources β-cyanoalanine ChEBI beta-Cyanoalanine ChemIDplus cyanoalanine ChEBI propargylglycine ChEBI Registry Numbers Types Sources 2410687 Reaxys Registry Number Reaxys 923-01-3 CAS Registry Number ChemIDplus Citations Types Sources 26714205 PubMed citation Europe PMC 27979192 PubMed citation Europe PMC Last Modified 18 January 2017