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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
70.05310
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
ChEBI
beta-Aminopropionitrile
KEGG COMPOUND
beta-Aminopropionitrile
KEGG COMPOUND
β-cyanoethylamine
ChemIDplus
H
2
NCH
2
CH
2
CN
NIST Chemistry WebBook
Manual Xrefs
Databases
Aminopropionitrile
Wikipedia
BETA-AMINOPROPIONITRILE
MetaCyc
C05670
KEGG COMPOUND
HMDB0004101
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
Types
Sources
22434522
PubMed citation
Europe PMC
24391667
PubMed citation
Europe PMC
6842692
PubMed citation
Europe PMC
7544946
PubMed citation
Europe PMC
Last Modified
19 October 2023