CHEBI:27413 - β-aminopropionitrile

ChEBI IDCHEBI:27413
ChEBI Nameβ-aminopropionitrile
Stars
ASCII Namebeta-aminopropionitrile
DefinitionAn aminopropionitrile carrying an amino group at the β-position.
Secondary ChEBI IDsCHEBI:10351, CHEBI:22831
Last Modified19 October 2023
DownloadsMolfile
FormulaC3H6N2
Net Charge0
Average Mass70.095
Monoisotopic Mass70.05310
SMILESN#CCCN
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
InChIKeyAGSPXMVUFBBBMO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
collagen cross-linking inhibitor  Any compound that inhibits collagen cross-linking.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-cyanoethylamineChemIDplus
3-aminopropionitrileNIST Chemistry WebBook
3-AminopropiononitrileKEGG COMPOUND
aminopropionitrileChemIDplus
BAPNChemIDplus
beta-AminopropionitrileKEGG COMPOUND
Manual XrefsDatabases
AminopropionitrileWikipedia
BETA-AMINOPROPIONITRILEMetaCyc
C05670KEGG COMPOUND
HMDB0004101HMDB
Registry NumbersSources
Reaxys:1698848Reaxys
Gmelin:600476Gmelin
CAS:151-18-8KEGG COMPOUND
CAS:151-18-8ChemIDplus
CAS:151-18-8NIST Chemistry WebBook
Citations