CHEBI:58792 - 2-azaniumyl-2-deoxyisochorismate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-azaniumyl-2-deoxyisochorismate
ChEBI ID CHEBI:58792
Definition Conjugate base of 2-amino-2-deoxyisochorismic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H10NO5
Net Charge -1
Average Mass 224.19010
Monoisotopic Mass 224.05645
InChI InChI=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
InChIKey OKLGKGPAZUNROU-YUMQZZPRSA-M
SMILES [NH3+][C@@H]1[C@@H](OC(=C)C([O-])=O)C=CC=C1C([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonym Source
(2S)-2-amino-4-deoxychorismate UniProt
Last Modified
27 May 2011