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CHEBI:44491 - 4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-TEMPO

ChEBI IDCHEBI:44491
ChEBI Name4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-TEMPO
Stars
DefinitionA C-nitro compound that is the 4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino) derivative of TEMPO (PDB entry: 1BAF).
Last Modified13 September 2019
DownloadsMolfile
FormulaC17H27N6O5
Net Charge0
Average Mass395.440
Monoisotopic Mass395.20429
SMILESCC1(C)CC(Nc2cc(NCCN)c([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)N1[O]
InChIInChI=1S/C17H27N6O5/c1-16(2)9-11(10-17(3,4)23(16)28)20-13-7-12(19-6-5-18)14(21(24)25)8-15(13)22(26)27/h7-8,11,19-20H,5-6,9-10,18H2,1-4H3
InChIKeyYKHCZDZMODGNFT-UHFFFAOYSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-TEMPO (CHEBI:44491) has functional parent TEMPO (CHEBI:32849)
4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-TEMPO (CHEBI:44491) has role epitope (CHEBI:53000)
4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-TEMPO (CHEBI:44491) is a C-nitro compound (CHEBI:35716)
4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-TEMPO (CHEBI:44491) is a aminopiperidine (CHEBI:48588)
4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-TEMPO (CHEBI:44491) is a aminoxyls (CHEBI:39477)
IUPAC Name 
[4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanyl
Synonyms  Source
N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINEPDBeChem
N-(2-aminoethyl)-4,6-dinitro-N'-(2,2,6,6-tetramethyl-1-oxido-piperidin-4-yl)benzene-1,3-diaminePDB
Manual XrefsDatabases
NPPPDBeChem
Citations