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CHEBI:58792 - 2-azaniumyl-2-deoxyisochorismate

ChEBI IDCHEBI:58792
ChEBI Name2-azaniumyl-2-deoxyisochorismate
Stars
DefinitionConjugate base of 2-amino-2-deoxyisochorismic acid.
Last Modified27 May 2011
DownloadsMolfile
FormulaC10H10NO5
Net Charge-1
Average Mass224.192
Monoisotopic Mass224.05645
SMILESC=C(O[C@H]1C=CC=C(C(=O)[O-])[C@@H]1[NH3+])C(=O)[O-]
InChIInChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/p-1/t7-,8-/m0/s1
InChIKeyOKLGKGPAZUNROU-YUMQZZPRSA-M
ChEBI Ontology
Outgoing Relation(s)
2-azaniumyl-2-deoxyisochorismate (CHEBI:58792) is a dicarboxylic acid monoanion (CHEBI:35695)
2-azaniumyl-2-deoxyisochorismate (CHEBI:58792) is conjugate base of 2-amino-2-deoxyisochorismic acid (CHEBI:49197)
Incoming Relation(s)
2-amino-2-deoxyisochorismic acid (CHEBI:49197) is conjugate acid of 2-azaniumyl-2-deoxyisochorismate (CHEBI:58792)
IUPAC Name 
(5S,6S)-6-azaniumyl-5-[(1-carboxylatoethenyl)oxy]cyclohexa-1,3-diene-1-carboxylate
UniProt Name  Source
(2S)-2-amino-4-deoxychorismateUniProt