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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-amino-5-deoxy-3-dehydroshikimic acid zwitterion
ChEBI ID CHEBI:71963
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C7H9NO4
Net Charge 0
Average Mass 171.15070
Monoisotopic Mass 171.053
InChI InChI=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
InChIKey NTKDYXWKDJOXSZ-XINAWCOVSA-N
SMILES [NH3+][C@@H]1CC(=CC(=O)[C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
5-ammonio-5-deoxy-3-dehydroshikimate ChEBI
5-deoxy-5-amino-3-dehydroshikimate UniProt
Database Link Database
CPD-10230 MetaCyc
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Last Modified
31 January 2013