CHEBI:16934 - 3-cyano-L-alanine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-cyano-L-alanine
ChEBI ID CHEBI:16934
ChEBI ASCII Name 3-cyano-L-alanine
Definition A cyanoamino acid that is the 3-cyano-derivative of L-alanine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19989, CHEBI:11772, CHEBI:11773, CHEBI:1477, CHEBI:13061
Supplier Information
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Formulae C4H6N2O2
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 N[C@@H](CC#N)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via L-alpha-amino acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-cyano-L-alanine (CHEBI:16934) has role Escherichia coli metabolite (CHEBI:76971)
3-cyano-L-alanine (CHEBI:16934) has role human metabolite (CHEBI:77746)
3-cyano-L-alanine (CHEBI:16934) has role mouse metabolite (CHEBI:75771)
3-cyano-L-alanine (CHEBI:16934) is a cyanoamino acid (CHEBI:60974)
3-cyano-L-alanine (CHEBI:16934) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3-cyano-L-alanine (CHEBI:16934) is conjugate acid of 3-cyano-L-alaninate (CHEBI:57954)
3-cyano-L-alanine (CHEBI:16934) is tautomer of 3-cyano-L-alanine zwitterion (CHEBI:77860)
Incoming γ-glutamyl-β-cyanoalanine (CHEBI:10565) has functional parent 3-cyano-L-alanine (CHEBI:16934)
3-cyano-L-alaninate (CHEBI:57954) is conjugate base of 3-cyano-L-alanine (CHEBI:16934)
3-cyano-L-alanine zwitterion (CHEBI:77860) is tautomer of 3-cyano-L-alanine (CHEBI:16934)
IUPAC Name
3-cyano-L-alanine
Synonyms Sources
3-Cyano-L-alanine KEGG COMPOUND
L-3-Cyanoalanine KEGG COMPOUND
L-beta-Cyanoalanine KEGG COMPOUND
Manual Xrefs Databases
C00001350 KNApSAcK
C02512 KEGG COMPOUND
CPD-603 MetaCyc
View more database links
Registry Numbers Types Sources
2410688 Reaxys Registry Number Reaxys
6232-19-5 CAS Registry Number KEGG COMPOUND
6232-19-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
1855644 PubMed citation Europe PMC
Last Modified
27 January 2016