EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142590 - 3-aminoisobutanoic acid zwitterion

ChEBI IDCHEBI:142590
ChEBI Name3-aminoisobutanoic acid zwitterion
Stars
DefinitionZwitterionic form of 3-aminoisobutyric acid arising from migration of a proton from the carboxy group to the amino group; major species at pH 7.3.
Last Modified10 April 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC4H9NO2
Net Charge0
Average Mass103.121
Monoisotopic Mass103.06333
SMILESCC(C[NH3+])C(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKeyQCHPKSFMDHPSNR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-aminoisobutanoic acid zwitterion (CHEBI:142590) is a amino-acid zwitterion (CHEBI:35238)
3-aminoisobutanoic acid zwitterion (CHEBI:142590) is conjugate acid of 3-aminoisobutyrate (CHEBI:49096)
3-aminoisobutanoic acid zwitterion (CHEBI:142590) is tautomer of 3-aminoisobutyric acid (CHEBI:27389)
Incoming Relation(s)
(R)-3-aminoisobutyric acid zwitterion (CHEBI:57731) is a 3-aminoisobutanoic acid zwitterion (CHEBI:142590)
3-aminoisobutyrate (CHEBI:49096) is conjugate base of 3-aminoisobutanoic acid zwitterion (CHEBI:142590)
3-aminoisobutyric acid (CHEBI:27389) is tautomer of 3-aminoisobutanoic acid zwitterion (CHEBI:142590)
IUPAC Name 
3-azaniumyl-2-methylpropanoate
Synonym  Source
3-ammonio-2-methylpropanoateChEBI
UniProt Name  Source
3-aminoisobutanoateUniProt