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

ChEBI IDCHEBI:77860
ChEBI Name3-cyano-L-alanine zwitterion
Stars
ASCII Name3-cyano-L-alanine zwitterion
DefinitionAn 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.).
Last Modified23 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC4H6N2O2
Net Charge0
Average Mass114.104
Monoisotopic Mass114.04293
SMILESN#CC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
InChIKeyBXRLWGXPSRYJDZ-VKHMYHEASA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
(2S)-2-ammonio-3-cyanopropanoateIUPAC
UniProt Name  Source
3-cyano-L-alanineUniProt