3-aminoisobutyric acid (CHEBI:27389)

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ChEBI Name	3-aminoisobutyric acid

ChEBI ID	CHEBI:27389

Definition	A β-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:359, CHEBI:18712, CHEBI:19959

Supplier Information	eMolecules:636962, ZINC000100044649

Download	Molfile XML SDF

Wikipedia	License
Pitavastatin (usually as a calcium salt) is a member of the blood cholesterol lowering medication class of statins. Pitavastatin is an inhibitor of HMG-CoA reductase, the enzyme that catalyses the first step of cholesterol synthesis. It was patented in 1987 and approved for medical use in 2003. It is available in Japan, South Korea and in India. In the US, it received FDA approval in 2009. Kowa Pharmaceuticals, a subsidiary of Kowa Company, is the owner of the American patent to pitavastatin.
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Formula

C4H9NO2

Net Charge

Average Mass

103.11980

Monoisotopic Mass

103.06333

InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey

QCHPKSFMDHPSNR-UHFFFAOYSA-N

SMILES

CC(CN)C(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.

ChEBI Ontology
Outgoing	3-aminoisobutyric acid (CHEBI:27389) has functional parent isobutyric acid (CHEBI:16135) 3-aminoisobutyric acid (CHEBI:27389) has role metabolite (CHEBI:25212) 3-aminoisobutyric acid (CHEBI:27389) is a β-amino acid (CHEBI:33706) 3-aminoisobutyric acid (CHEBI:27389) is conjugate acid of 3-aminoisobutyrate (CHEBI:49096) 3-aminoisobutyric acid (CHEBI:27389) is tautomer of 3-aminoisobutanoic acid zwitterion (CHEBI:142590)

Incoming	(R)-3-aminoisobutyric acid (CHEBI:16320) is a 3-aminoisobutyric acid (CHEBI:27389) (S)-3-aminoisobutyric acid (CHEBI:33094) is a 3-aminoisobutyric acid (CHEBI:27389) 3-aminoisobutyrate (CHEBI:49096) is conjugate base of 3-aminoisobutyric acid (CHEBI:27389) 3-aminoisobutanoic acid zwitterion (CHEBI:142590) is tautomer of 3-aminoisobutyric acid (CHEBI:27389)

IUPAC Name

3-amino-2-methylpropanoic acid

Synonyms	Sources
2-(aminomethyl)propionic acid	ChemIDplus
2-Methyl-beta-alanine	HMDB
3-Amino-2-methylpropanoate	KEGG COMPOUND
3-Aminoisobutanoate	KEGG COMPOUND
3-Aminoisobutanoic acid	HMDB
3-aminoisobutyric acid	ChemIDplus
alpha-Methyl-beta-alanine	HMDB
BAIB	ChEBI
bAib	ChEBI
β-aminoisobutyric acid	ChEBI
DL-beta-aminoisobutyric acid	NIST Chemistry WebBook

Citations

Last Modified

10 April 2019