CHEBI:77860 - 3-cyano-L-alanine zwitterion

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ChEBI Name 3-cyano-L-alanine zwitterion ChEBI ID CHEBI:77860 ChEBI ASCII Name 3-cyano-L-alanine zwitterion Definition An L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-cyano-L-alanine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information ChemicalBook:CB3134375, eMolecules:536628, ZINC000000901380 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 114.10260 Monoisotopic Mass 114.04293 InChI InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChIKey BXRLWGXPSRYJDZ-VKHMYHEASA-N SMILES [NH3+][C@@H](CC#N)C([O-])=O ChEBI Ontology Outgoing 3-cyano-L-alanine zwitterion (CHEBI:77860) is a L-α-amino acid zwitterion (CHEBI:59869) 3-cyano-L-alanine zwitterion (CHEBI:77860) is conjugate acid of 3-cyano-L-alaninate (CHEBI:57954) 3-cyano-L-alanine zwitterion (CHEBI:77860) is tautomer of 3-cyano-L-alanine (CHEBI:16934) Incoming 3-cyano-L-alaninate (CHEBI:57954) is conjugate base of 3-cyano-L-alanine zwitterion (CHEBI:77860) 3-cyano-L-alanine (CHEBI:16934) is tautomer of 3-cyano-L-alanine zwitterion (CHEBI:77860) IUPAC Name (2S)-2-azaniumyl-3-cyanopropanoate Synonyms Sources (2S)-2-ammonio-3-cyanopropanoate IUPAC 3-cyano-L-alanine UniProt Last Modified 23 June 2014