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CHEBI:76855 - 3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion

ChEBI IDCHEBI:76855
ChEBI Name3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion
Stars
ASCII Name3-(5-oxoisoxazolin-2-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-2-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](Cn1ccc(=O)o1)C(=O)[O-]
InChIInChI=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
InChIKeyBDHFFHBFJUZSBF-BYPYZUCNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion (CHEBI:76855) is a amino-acid zwitterion (CHEBI:35238)
3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion (CHEBI:76855) is tautomer of 3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029)
Incoming Relation(s)
3-(5-oxoisoxazolin-2-yl)-L-alanine (CHEBI:77029) is tautomer of 3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion (CHEBI:76855)
IUPAC Name 
(2S)-2-azaniumyl-3-(5-oxo-1,2-oxazol-2(5H)-yl)propanoate
Synonyms  Source
BIASUBMITTER
β-(isoxazolin-5-on-2-yl)-L-alanineSUBMITTER
UniProt Name  Source
3-(5-oxoisoxazolin-2-yl)-L-alanineUniProt
Citations