CHEBI:37081 - 3-aminobutanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-aminobutanoic acid
ChEBI ID CHEBI:37081
Definition A β-amino acid that is butyric acid which is substituted by an amino group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C4H9NO2
Net Charge 0
Average Mass 103.11980
Monoisotopic Mass 103.063
InChI InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey OQEBBZSWEGYTPG-UHFFFAOYSA-N
SMILES CC(N)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-aminobutanoic acid (CHEBI:37081) has functional parent butyric acid (CHEBI:30772)
3-aminobutanoic acid (CHEBI:37081) has role metabolite (CHEBI:25212)
3-aminobutanoic acid (CHEBI:37081) is a β-amino acid (CHEBI:33706)
3-aminobutanoic acid (CHEBI:37081) is a monocarboxylic acid (CHEBI:25384)
3-aminobutanoic acid (CHEBI:37081) is conjugate acid of 3-aminobutyrate (CHEBI:87997)
Incoming 3-aminobutyryl-CoA (CHEBI:28317) has functional parent 3-aminobutanoic acid (CHEBI:37081)
3-aminobutyrate (CHEBI:87997) is conjugate base of 3-aminobutanoic acid (CHEBI:37081)
IUPAC Name
3-aminobutanoic acid
Synonyms Sources
3-aminobutanoic acid ChEBI
3-Aminobutyric acid ChemIDplus
3-methyl-β-alanine ChEBI
beta-Aminobutyric acid ChemIDplus
Manual Xrefs Databases
CPD-4748 MetaCyc
HMDB0031654 HMDB
View more database links
Registry Numbers Types Sources
1720563 Reaxys Registry Number Reaxys
541-48-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1249984 PubMed citation Europe PMC
18462831 PubMed citation Europe PMC
19413686 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
Last Modified
23 May 2016