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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 lactate
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Accession:CHEBI:85991 term browser browse the term
Definition:A lactate salt having panobinostat(1+) as the counterion. A histone deacetylase inhibitor used in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.
Synonyms:exact_synonym: 2-hydroxypropanoic acid--(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide (1/1);   N-({4-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium 2-hydroxypropanoate
 related_synonym: Farydak;   Formula=C24H29N3O5;   InChI=1S/C21H23N3O2.C3H6O3/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;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+;;   InChIKey=XVDWNSFFSMWXJJ-ASTDGNLGSA-N;   SMILES=CC(O)C(O)=O.Cc1[nH]c2ccccc2c1CCNCc1ccc(\\C=C\\C(=O)NO)cc1
 xref: CAS:960055-56-5;   KEGG:D10019;   PMID:25837990;   PMID:25859117;   PMID:25939707;   PMID:25987820;   Reaxys:15615390;   Wikipedia:Panobinostat



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19703
    role 19678
      application 19510
        pharmaceutical 19400
          drug 19400
            antineoplastic agent 17594
              panobinostat lactate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19703
    subatomic particle 19702
      composite particle 19702
        hadron 19702
          baryon 19702
            nucleon 19702
              atomic nucleus 19702
                atom 19702
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19595
                        carbon atom 19592
                          organic molecular entity 19592
                            organic ion 9238
                              organic anion 3104
                                carboxylic acid anion 2441
                                  monocarboxylic acid anion 1564
                                    fatty acid anion 109
                                      short-chain fatty acid anion 102
                                        fatty acid anion 3:0 4
                                          propionate 4
                                            lactate 0
                                              lactate salt 0
                                                panobinostat lactate 0
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