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3-Aminoisobutanoic acid (PC000583)

Record Information
Version1.0
Creation date2015-10-09 22:31:22 UTC
Update date2017-01-19 02:36:28 UTC
FoodComEx IDPC000583
FoodDB RecordFDB023248
Chemical Information
Name3-Aminoisobutanoic acid
Descriptionbeta-aminoisobutyric acid is the product from the conversion of N-carbamyl-beta-aminoisobutyric acid by the enzyme Beta-ureidopropionase (EC 3.5.1.6), the last step in pyrimidine degradation. Beta-ureidopropionase deficiency is an inborn error of pyrimidine degradation associated with neurological abnormalities (OMIM 606673) [HMDB]
CAS Number144-90-1
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(+/-)-3-Amino-2-methylpropanoatehmdb
(+/-)-3-Amino-2-methylpropanoic acidhmdb
(+/-)-3-Aminoisobutyric acidhmdb
(+/-)-b-Aminoisobutyric acidhmdb
(+/-)-beta-Aminoisobutyric acidhmdb
2-(Aminomethyl)propionateGenerator
2-(Aminomethyl)propionic acidChEBI
2-Methyl-b-alaninehmdb
2-Methyl-beta-alaninehmdb
2-Methyl-β-alanineGenerator
3-amino-2-MethylpropanoateChEBI
3-amino-2-Methylpropanoic acidGenerator
3-amino-IsobutanoateHMDB
3-amino-Isobutanoic acidHMDB
3-Aminoisobutanoatehmdb
3-Aminoisobutanoic acidhmdb
3-AminoisobutyrateGenerator
3-Aminoisobutyric acidChEBI
a-Methyl-b-alaninehmdb
alpha-Methyl-beta-alaninehmdb
b-AminoisobutyrateGenerator
b-Aminoisobutyric acidhmdb
BAIBChEBI
beta-AminoisobutyrateGenerator
beta-Aminoisobutyric acidhmdb
DL-2-Methyl-b-alaninehmdb
DL-2-Methyl-beta-alaninehmdb
DL-3-Amino-2-methylpropionic acidhmdb
DL-3-Aminoisobutyric acidHMDB
DL-b-AminoisobutyrateGenerator
DL-b-Aminoisobutyric acidGenerator
DL-beta-AminoisobutyrateGenerator
DL-beta-Aminoisobutyric acidhmdb
DL-β-aminoisobutyrateGenerator
DL-β-aminoisobutyric acidGenerator
α-methyl-β-alanineGenerator
β-aminoisobutyrateGenerator
β-aminoisobutyric acidGenerator
Chemical FormulaC4H9NO2
IUPAC name3-amino-2-methylpropanoic acid
InChI IdentifierInChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChI KeyQCHPKSFMDHPSNR-UHFFFAOYSA-N
Isomeric SMILESCC(CN)C(O)=O
Average Molecular Weight103.1198
Monoisotopic Molecular Weight103.063328537
Chemical Taxonomy
Description Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentBeta amino acids and derivatives
Alternative Parents
Substituents
  • Beta amino acid or derivatives
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 20 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci B714
Glentham GM8773
Human Metabolome Library HMDB0003911
MetaSci HMDB0003911
Toronto Research Chemicals A614325