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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:retaspimycin hydrochloride
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Accession:CHEBI:71956 term browser browse the term
Definition:A hydrochloride that is the monohydrochloride salt of retaspimycin. A semi-synthetic water-soluble analogue of geldanamycin used in cancer treatment.
Synonyms:exact_synonym: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate hydrochloride
 related_synonym: 17-Allylamino-17-demethoxygeldanamycin hydroquinone hydrochloride;   Formula=C31H45N3O8.HCl;   Formula=C31H46ClN3O8;   IPI 504;   InChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1;   InChIKey=OIRUWDYJGMHDHJ-AFXVCOSJSA-N;   SMILES=Cl.CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)\\C(C)=C\\C=C/[C@H](OC)[C@@H](OC(N)=O)\\C(C)=C\\[C@H](C)[C@H]1O)cc(O)c2NCC=C;   retaspimycin monohydrochloride
 xref: CAS:857402-63-2;   KEGG:D09376;   PMID:17090671;   PMID:17395781;   PMID:17624530;   PMID:18644253;   PMID:18794084;   PMID:18852131;   PMID:19036086;   PMID:19642950;   PMID:19671750;   PMID:19860734;   PMID:19952119;   PMID:20191425;   PMID:20383346;   PMID:20940188;   PMID:20940293;   PMID:21106982;   PMID:21258415;   PMID:21383049;   PMID:21762967;   PMID:21825009;   PMID:21851215;   PMID:21907929;   PMID:22246317;   PMID:22652777;   PMID:23199899;   Patent:US2008255080;   Patent:WO2005063714;   Patent:WO2010135426;   Reaxys:11329862


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        pharmaceutical 19494
          drug 19494
            antineoplastic agent 17763
              retaspimycin hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      halogen 18673
                        chlorine atom 18464
                          chlorine molecular entity 18464
                            elemental chlorine 8534
                              monoatomic chlorine 8519
                                chloride 8519
                                  chloride salt 8519
                                    organic chloride salt 1085
                                      hydrochloride 721
                                        retaspimycin hydrochloride 0
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