3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029)

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ChEBI Name	3-(5-oxoisoxazolin-2-yl)-L-alanine

ChEBI ID	CHEBI:77029

ChEBI ASCII Name	3-(5-oxoisoxazolin-2-yl)-L-alanine

Definition	A non-proteinogenic L-α-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-2-yl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H8N2O4

Net Charge

Average Mass

172.13870

Monoisotopic Mass

172.04841

InChI

InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1

InChIKey

BDHFFHBFJUZSBF-BYPYZUCNSA-N

SMILES

N[C@@H](Cn1ccc(=O)o1)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):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) has role plant metabolite (CHEBI:76924) 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is a L-alanine derivative (CHEBI:83943) 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is a isoxazoles (CHEBI:55373) 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is a non-proteinogenic L-α-amino acid (CHEBI:83822) 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is tautomer of 3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion (CHEBI:76855)

Incoming	3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion (CHEBI:76855) is tautomer of 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029)

IUPAC Name

3-(5-oxo-1,2-oxazol-2(5H)-yl)-L-alanine

Synonyms	Sources
(Isoxazolin-5-on-2-yl)alanine	ChemIDplus
(S)-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid	ChemIDplus
alpha-Amino-5-oxo-(S)-2(5H)-Isoxazolepropanoic acid	HMDB
β-(isoxazolin-5-on-2-yl)-L-alanine	ChEBI
beta-(Isoxazolin-5-on-2-yl)alanine	ChemIDplus
BIOYA	ChemIDplus

Citation	Type	Source
8889043	PubMed citation	Europe PMC

Last Modified

28 November 2014