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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 22194
    role 22179
      biological role 22178
        epitope 7189
          4-(\{5-[(2-aminoethyl)amino]-2,4-dinitrophenyl\}amino)-TEMPO 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21921
                        carbon atom 21847
                          organic molecular entity 21847
                            organic molecule 21664
                              organic cyclic compound 21273
                                organic heterocyclic compound 20345
                                  organic heteromonocyclic compound 18753
                                    piperidines 7835
                                      TEMPO 105
                                        4-(\{5-[(2-aminoethyl)amino]-2,4-dinitrophenyl\}amino)-TEMPO 0
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