3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030)

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ChEBI Name	3-(5-oxoisoxazolin-4-yl)-L-alanine

ChEBI ID	CHEBI:77030

ChEBI ASCII Name	3-(5-oxoisoxazolin-4-yl)-L-alanine

Definition	A member of the class of isoxazoles that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-4-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(5(9)10)1-3-2-8-12-6(3)11/h2,4,8H,1,7H2,(H,9,10)/t4-/m0/s1

InChIKey

LVNJBTYSYFSYFG-BYPYZUCNSA-N

SMILES

N[C@@H](Cc1c[nH]oc1=O)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-4-yl)-L-alanine (CHEBI:77030) has role plant metabolite (CHEBI:76924) 3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030) is a L-alanine derivative (CHEBI:83943) 3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030) is a isoxazoles (CHEBI:55373) 3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030) is a non-proteinogenic L-α-amino acid (CHEBI:83822) 3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030) is tautomer of 3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion (CHEBI:76856)

Incoming	3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion (CHEBI:76856) is tautomer of 3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030)

IUPAC Name

3-(5-oxo-2,5-dihydro-1,2-oxazol-4-yl)-L-alanine

Synonym	Source
β-(isoxazolin-5-on-4-yl)-L-alanine	ChEBI

Registry Number	Type	Source
4842550	Reaxys Registry Number	Reaxys

Citation	Type	Source
8889043	PubMed citation	Europe PMC

Last Modified

08 January 2015