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
Download Molfile XML SDF
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