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CHEBI:91084 - β-aminopropionitrile hemifumarate

ChEBI IDCHEBI:91084
ChEBI Nameβ-aminopropionitrile hemifumarate
Stars
ASCII Namebeta-aminopropionitrile hemifumarate
DefinitionA fumarate salt prepared from β-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of β-aminopropionitrile.
Last Modified4 February 2016
SubmitterSteve
DownloadsMolfile
Formula2C3H6N2.C4H4O4
Net Charge0
Average Mass256.262
Monoisotopic Mass256.11715
SMILESN#CCCN.N#CCCN.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;
InChIKeyNYMXYZMHOZAPHQ-SEPHDYHBSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
Applications:
antirheumatic drug  A drug used to treat rheumatoid arthritis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
β-aminopropionitrile hemifumarate (CHEBI:91084) has part β-ammoniopropionitrile (CHEBI:91086)
β-aminopropionitrile hemifumarate (CHEBI:91084) has role antineoplastic agent (CHEBI:35610)
β-aminopropionitrile hemifumarate (CHEBI:91084) has role antirheumatic drug (CHEBI:35842)
β-aminopropionitrile hemifumarate (CHEBI:91084) has role collagen cross-linking inhibitor (CHEBI:91085)
β-aminopropionitrile hemifumarate (CHEBI:91084) has role plant metabolite (CHEBI:76924)
β-aminopropionitrile hemifumarate (CHEBI:91084) is a fumarate salt (CHEBI:50921)
IUPAC Name 
bis(2-cyanoethan-1-aminium) (2E)-but-2-enedioate
Synonyms  Source
Bis(3-aminopropionitrile) fumarateChemIDplus
2-cyanoethylamine hemifumarateChEBI
beta-Aminopropionitrile, fumarateChemIDplus
Di-beta-aminopropionitrile fumarateChemIDplus
BAPN fumarateChemIDplus
Manual XrefsDatabases
AminopropionitrileWikipedia
Registry NumbersSources
Reaxys:3573532Reaxys
CAS:2079-89-2ChemIDplus
Citations