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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:panobinostat(1+)
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Accession:CHEBI:85992 term browser browse the term
Definition:An organic cation obtained by protonation of the secondary amino function of panobinostat.
Synonyms:exact_synonym: N-({4-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium
 related_synonym: Formula=C21H24N3O2;   InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/p+1/b11-10+;   InChIKey=FPOHNWQLNRZRFC-ZHACJKMWSA-O;   SMILES=Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(\\C=C\\C(=O)NO)cc1;   panobinostat cation
 cyclic_relationship: is_conjugate_acid_of CHEBI:85990

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          organic ion 0
            organic cation 0
              panobinostat(1+) 0
                panobinostat lactate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  ammonium 0
                                    ammonium ion derivative 0
                                      panobinostat(1+) 0
                                        panobinostat lactate 0
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