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CHEBI:71963 - 5-amino-5-deoxy-3-dehydroshikimic acid zwitterion

ChEBI IDCHEBI:71963
ChEBI Name5-amino-5-deoxy-3-dehydroshikimic acid zwitterion
Stars
DefinitionAn amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 5-amino-5-deoxy-3-dehydroshikimic acid; major species at pH 7.3.
Last Modified31 January 2013
SubmitterKAX
DownloadsMolfile
FormulaC7H9NO4
Net Charge0
Average Mass171.152
Monoisotopic Mass171.05316
SMILES[NH3+][C@@H]1CC(C(=O)[O-])=CC(=O)[C@H]1O
InChIInChI=1S/C7H9NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4,6,10H,1,8H2,(H,11,12)/t4-,6+/m1/s1
InChIKeyNTKDYXWKDJOXSZ-XINAWCOVSA-N
ChEBI Ontology
Outgoing Relation(s)
5-amino-5-deoxy-3-dehydroshikimic acid zwitterion (CHEBI:71963) is a amino-acid zwitterion (CHEBI:35238)
5-amino-5-deoxy-3-dehydroshikimic acid zwitterion (CHEBI:71963) is tautomer of 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514)
Incoming Relation(s)
5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) is tautomer of 5-amino-5-deoxy-3-dehydroshikimic acid zwitterion (CHEBI:71963)
IUPAC Name 
(4S,5R)-5-azaniumyl-4-hydroxy-3-oxocyclohex-1-ene-1-carboxylate
Synonym  Source
5-ammonio-5-deoxy-3-dehydroshikimateChEBI
UniProt Name  Source
5-deoxy-5-amino-3-dehydroshikimateUniProt
Manual XrefsDatabases
CPD-10230MetaCyc