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CHEBI:71286 - 3-nitrotyramine zwitterion

ChEBI IDCHEBI:71286
ChEBI Name3-nitrotyramine zwitterion
Stars
DefinitionA zwitterion obtained by transfer of a proton from the phenol to the amino group of 3-nitrotyramine; major species at pH 7.3
Last Modified24 November 2014
SubmitterMaria Jose
DownloadsMolfile
FormulaC8H10N2O3
Net Charge0
Average Mass182.179
Monoisotopic Mass182.06914
SMILES[NH3+]CCc1ccc([O-])c(N(=O)=O)c1
InChIInChI=1S/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2
InChIKeyIUCYCHQMRZWPGT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-nitrotyramine zwitterion (CHEBI:71286) is a zwitterion (CHEBI:27369)
3-nitrotyramine zwitterion (CHEBI:71286) is tautomer of 3-nitrotyramine (CHEBI:71233)
Incoming Relation(s)
3-nitrotyramine (CHEBI:71233) is tautomer of 3-nitrotyramine zwitterion (CHEBI:71286)
IUPAC Name 
4-(2-azaniumylethyl)-2-nitrophenolate
Synonyms  Source
4-(2-aminoethyl)-2-nitrophenolSUBMITTER
3-nitrotyramineChEBI
4-(2-ammonioethyl)-2-nitrophenolateIUPAC
UniProt Name  Source
3-nitrotyramineUniProt
Citations