CHEBI:49096 - 3-aminoisobutyrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-aminoisobutyrate
ChEBI ID CHEBI:49096
Definition A β-amino acid anion that is the conjugate base of 3-aminoisobutyric acid, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C4H8NO2
Net Charge -1
Average Mass 102.11186
Monoisotopic Mass 102.05605
InChI InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1
InChIKey QCHPKSFMDHPSNR-UHFFFAOYSA-M
SMILES CC(CN)C([O-])=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 3-aminoisobutyrate (CHEBI:49096) has role metabolite (CHEBI:25212)
3-aminoisobutyrate (CHEBI:49096) is a β-amino-acid anion (CHEBI:49095)
3-aminoisobutyrate (CHEBI:49096) is conjugate base of 3-aminoisobutanoic acid zwitterion (CHEBI:142590)
3-aminoisobutyrate (CHEBI:49096) is conjugate base of 3-aminoisobutyric acid (CHEBI:27389)
Incoming (R)-3-aminoisobutyrate (CHEBI:49097) is a 3-aminoisobutyrate (CHEBI:49096)
(S)-3-aminoisobutyrate (CHEBI:18188) is a 3-aminoisobutyrate (CHEBI:49096)
3-aminoisobutanoic acid zwitterion (CHEBI:142590) is conjugate acid of 3-aminoisobutyrate (CHEBI:49096)
3-aminoisobutyric acid (CHEBI:27389) is conjugate acid of 3-aminoisobutyrate (CHEBI:49096)
IUPAC Name
3-amino-2-methylpropanoate
Synonym Source
β-aminoisobutyrate ChEBI
Citation Waiting for Citations Type Source
17190852 PubMed citation Europe PMC
Last Modified
10 April 2019