CHEBI:134261 - α-(methylamino)isobutyric acid

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ChEBI Name α-(methylamino)isobutyric acid ChEBI ID CHEBI:134261 ChEBI ASCII Name alpha-(methylamino)isobutyric acid Definition A non-proteinogenic α-amino acid that is isobutyric acid in which the α-hydrogen has been replaced by a methylamino group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H11NO2 Net Charge 0 Average Mass 117.147 Monoisotopic Mass 117.07898 InChI InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) InChIKey DLAMVQGYEVKIRE-UHFFFAOYSA-N SMILES OC(=O)C(NC)(C)C Metabolite of Species Details Homo Sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: DOI Homo Sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study 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): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing α-(methylamino)isobutyric acid (CHEBI:134261) has functional parent isobutyric acid (CHEBI:16135) α-(methylamino)isobutyric acid (CHEBI:134261) has role human urinary metabolite (CHEBI:84087) α-(methylamino)isobutyric acid (CHEBI:134261) is a alanine derivative (CHEBI:22278) α-(methylamino)isobutyric acid (CHEBI:134261) is a non-proteinogenic α-amino acid (CHEBI:83925) α-(methylamino)isobutyric acid (CHEBI:134261) is a secondary amino compound (CHEBI:50995) α-(methylamino)isobutyric acid (CHEBI:134261) is conjugate acid of N-methyl-aminoisobutyrate zwitterion (CHEBI:192077) Incoming N-methyl-aminoisobutyrate zwitterion (CHEBI:192077) is conjugate base of α-(methylamino)isobutyric acid (CHEBI:134261) IUPAC Name N,2-dimethylalanine Synonym Source 2-(Methylamino)isobutyric acid ChemIDplus Manual Xref Database 68242 ChemSpider View more database links Registry Numbers Types Sources 1746984 Reaxys Registry Number Reaxys 2566-34-9 CAS Registry Number ChemIDplus Citations Types Sources 15243140 PubMed citation Europe PMC 15774260 PubMed citation Europe PMC 16202926 PubMed citation Europe PMC 16373326 PubMed citation Europe PMC 17003038 PubMed citation Europe PMC 17050538 PubMed citation Europe PMC 17504964 PubMed citation Europe PMC 21055620 PubMed citation Europe PMC 26346312 PubMed citation Europe PMC 8338132 PubMed citation Europe PMC Last Modified 23 June 2017