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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:4-(\{5-[(2-aminoethyl)amino]-2,4-dinitrophenyl\}amino)-TEMPO
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Accession:CHEBI:44491 term browser browse the term
Definition:A C-nitro compound that is the 4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino) derivative of TEMPO (PDB entry: 1BAF).
Synonyms:exact_synonym: [4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanyl
 related_synonym: Formula=C17H27N6O5;   InChI=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;   InChIKey=YKHCZDZMODGNFT-UHFFFAOYSA-N;   N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE;   N-(2-aminoethyl)-4,6-dinitro-N'-(2,2,6,6-tetramethyl-1-oxido-piperidin-4-yl)benzene-1,3-diamine;   SMILES=CC1(C)CC(CC(C)(C)N1[O])Nc1cc(NCCN)c(cc1[N+]([O-])=O)[N+]([O-])=O
 xref: PDBeChem:NPP;   PMID:1920408


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Term Annotations click to browse term
  CHEBI ontology 5067
    role 5032
      biological role 5032
        epitope 34
          4-(\{5-[(2-aminoethyl)amino]-2,4-dinitrophenyl\}amino)-TEMPO 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    p-block element atom 5025
                      carbon group element atom 4942
                        carbon atom 4941
                          organic molecular entity 4941
                            organic molecule 4889
                              organic cyclic compound 4828
                                organic heterocyclic compound 4617
                                  organic heteromonocyclic compound 4364
                                    piperidines 22
                                      TEMPO 2
                                        4-(\{5-[(2-aminoethyl)amino]-2,4-dinitrophenyl\}amino)-TEMPO 0
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