beta-aminopropionitrile hemifumarate (CHEBI:91084)

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ChEBI Name	β-aminopropionitrile hemifumarate

ChEBI ID	CHEBI:91084

ChEBI ASCII Name	beta-aminopropionitrile hemifumarate

Definition	A fumarate salt prepared from β-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of β-aminopropionitrile.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C10H16N4O4

Net Charge

Average Mass

256.259

Monoisotopic Mass

256.11716

InChI

InChI=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+;;

InChIKey

NYMXYZMHOZAPHQ-SEPHDYHBSA-N

SMILES

C(\C(O)=O)=C/C(O)=O.C(CC#N)N.C(CC#N)N

Roles Classification
Biological Role(s):	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.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antirheumatic drug A drug used to treat rheumatoid arthritis.

ChEBI Ontology
Outgoing	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	Sources
2-cyanoethylamine hemifumarate	ChEBI
BAPN fumarate	ChemIDplus
beta-Aminopropionitrile, fumarate	ChemIDplus
Bis(3-aminopropionitrile) fumarate	ChemIDplus
Di-beta-aminopropionitrile fumarate	ChemIDplus

Last Modified

04 February 2016