CHEBI:57954 - 3-cyano-L-alaninate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-cyano-L-alaninate ChEBI ID CHEBI:57954 ChEBI ASCII Name 3-cyano-L-alaninate Definition The conjugate base of 3-cyano-L-alanine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB8197940, ChemicalBook:CB0197939, eMolecules:593675, ZINC000000049154 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C4H5N2O2 Net Charge -1 Average Mass 113.09520 Monoisotopic Mass 113.03565 InChI InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1 InChIKey BXRLWGXPSRYJDZ-VKHMYHEASA-M SMILES N[C@@H](CC#N)C([O-])=O ChEBI Ontology Outgoing 3-cyano-L-alaninate (CHEBI:57954) is a L-α-amino acid anion (CHEBI:59814) 3-cyano-L-alaninate (CHEBI:57954) is a cyanoamino acid anion (CHEBI:66934) 3-cyano-L-alaninate (CHEBI:57954) is conjugate base of 3-cyano-L-alanine (CHEBI:16934) 3-cyano-L-alaninate (CHEBI:57954) is conjugate base of 3-cyano-L-alanine zwitterion (CHEBI:77860) Incoming 3-cyano-L-alanine (CHEBI:16934) is conjugate acid of 3-cyano-L-alaninate (CHEBI:57954) 3-cyano-L-alanine zwitterion (CHEBI:77860) is conjugate acid of 3-cyano-L-alaninate (CHEBI:57954) IUPAC Name 3-cyano-L-alaninate Synonyms Sources (2S)-2-amino-3-cyanopropanoate IUPAC 3-cyano-L-alaninate anion ChEBI 3-cyano-L-alaninate(1−) ChEBI Manual Xref Database CPD-603 MetaCyc View more database links Last Modified 26 October 2017