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

ChEBI IDCHEBI:77030
ChEBI Name3-(5-oxoisoxazolin-4-yl)-L-alanine
Stars
ASCII Name3-(5-oxoisoxazolin-4-yl)-L-alanine
DefinitionA 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.
Last Modified8 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC6H8N2O4
Net Charge0
Average Mass172.140
Monoisotopic Mass172.04841
SMILESN[C@@H](Cc1cnoc1=O)C(=O)O
InChIInChI=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
InChIKeyLVNJBTYSYFSYFG-BYPYZUCNSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
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 Relation(s)
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-alanineChEBI
Registry NumbersSources
Reaxys:4842550Reaxys
Citations