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CHEBI:76856 - 3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion

ChEBI IDCHEBI:76856
ChEBI Name3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion
Stars
ASCII Name3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion
DefinitionAn amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-4-yl)-L-alanine; major species at pH 7.3.
Last Modified20 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC6H8N2O4
Net Charge0
Average Mass172.140
Monoisotopic Mass172.04841
SMILES[NH3+][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
ChEBI Ontology
Outgoing Relation(s)
3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion (CHEBI:76856) is a amino-acid zwitterion (CHEBI:35238)
3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion (CHEBI:76856) is tautomer of 3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030)
Incoming Relation(s)
3-(5-oxoisoxazolin-4-yl)-L-alanine (CHEBI:77030) is tautomer of 3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion (CHEBI:76856)
IUPAC Name 
(2S)-2-azaniumyl-3-(5-oxo-2,5-dihydro-1,2-oxazol-4-yl)propanoate
Synonym  Source
β-(isoxazolin-5-on-4-yl)-L-alanineSUBMITTER
UniProt Name  Source
3-(5-oxoisoxazolin-4-yl)-L-alanineUniProt
Citations