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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:amrubicin
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Accession:CHEBI:135779 term browser browse the term
Definition:A synthetic anthracycline antibiotic with molecular formula C25H25NO9. A specific inhibitor of topoisomerase II, it is used (particularly as the hydrochloride salt) in the treatment of cancer, especially lung cancer, where it is a prodrug for the active metabolite, ambrucinol.
Synonyms:exact_synonym: (1S,3S)-3-acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-deoxy-beta-D-erythro-pentopyranoside
 related_synonym: (7S,9S)-9-acetyl-9-amino-7-{[(2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;   Formula=C25H25NO9;   InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1;   InChIKey=VJZITPJGSQKZMX-XDPRQOKASA-N;   SM-5887;   SMILES=O([C@H]1C[C@H](O)[C@@H](CO1)O)[C@@H]2C=3C(=C(O)C4=C(C3O)C(=O)C=5C(C4=O)=CC=CC5)C[C@](C2)(C(C)=O)N;   amrubicina;   amrubicine;   amrubicinum
 xref: CAS:110267-81-7;   Drug_Central:202;   KEGG:D08854;   PMID:31505087;   PMID:31557562;   PMID:31901017;   PMID:32462731;   PMID:32569168;   PMID:32582522;   PMID:32606979;   PMID:9849587;   Wikipedia:Amrubicin



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19860
    role 19832
      biological role 19830
        antimicrobial agent 18222
          anthracycline antibiotic 7570
            amrubicin 0
              amrubicinol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            heteroorganic entity 19494
                              organochalcogen compound 19257
                                organooxygen compound 19173
                                  carbonyl compound 18897
                                    ketone 17186
                                      cyclic ketone 15703
                                        quinone 8648
                                          amrubicin 0
                                            amrubicinol 0
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