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
Download Molfile XML SDF
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