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CHEBI:27413 - β-aminopropionitrile

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ChEBI Name β-aminopropionitrile
ChEBI ID CHEBI:27413
ChEBI ASCII Name beta-aminopropionitrile
Definition An aminopropionitrile carrying an amino group at the β-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22831, CHEBI:10351
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Formula C3H6N2
Net Charge 0
Average Mass 70.09322
Monoisotopic Mass 70.053
InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
InChIKey AGSPXMVUFBBBMO-UHFFFAOYSA-N
SMILES NCCC#N
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
collagen cross-linking inhibitor
Any compound that inhibits collagen cross-linking.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
antirheumatic drug
A drug used to treat rheumatoid arthritis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-aminopropionitrile (CHEBI:27413) has role antineoplastic agent (CHEBI:35610)
β-aminopropionitrile (CHEBI:27413) has role antirheumatic drug (CHEBI:35842)
β-aminopropionitrile (CHEBI:27413) has role collagen cross-linking inhibitor (CHEBI:91085)
β-aminopropionitrile (CHEBI:27413) has role plant metabolite (CHEBI:76924)
β-aminopropionitrile (CHEBI:27413) is a aminopropionitrile (CHEBI:22525)
β-aminopropionitrile (CHEBI:27413) is conjugate base of β-ammoniopropionitrile (CHEBI:91086)
Incoming γ-glutamyl-β-aminopropiononitrile (CHEBI:28092) has functional parent β-aminopropionitrile (CHEBI:27413)
β-ammoniopropionitrile (CHEBI:91086) is conjugate acid of β-aminopropionitrile (CHEBI:27413)
IUPAC Name
3-aminopropanenitrile
Synonyms Sources
2-cyanoethylamine ChemIDplus
3-aminopropionitrile NIST Chemistry WebBook
3-Aminopropiononitrile KEGG COMPOUND
aminopropionitrile ChemIDplus
BAPN ChemIDplus
β-alaninenitrile NIST Chemistry WebBook
β-aminoethyl cyanide EBI Industry Programme
beta-Aminopropionitrile KEGG COMPOUND
beta-Aminopropionitrile KEGG COMPOUND
β-cyanoethylamine ChemIDplus
H2NCH2CH2CN NIST Chemistry WebBook
Database Links Databases
Aminopropionitrile Wikipedia
BETA-AMINOPROPIONITRILE MetaCyc
C05670 KEGG COMPOUND
HMDB04101 HMDB
View more database links
Registry Numbers Types Sources
151-18-8 CAS Registry Number KEGG COMPOUND
151-18-8 CAS Registry Number ChemIDplus
151-18-8 CAS Registry Number NIST Chemistry WebBook
1698848 Reaxys Registry Number Reaxys
1698848 Beilstein Registry Number ChemIDplus
600476 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
22434522 PubMed citation Europe PMC
24391667 PubMed citation Europe PMC
6842692 PubMed citation Europe PMC
7544946 PubMed citation Europe PMC
Last Modified
04 February 2016