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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:doxorubicinol
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Accession:CHEBI:133817 term browser browse the term
Definition:A member of the class of tetracenequinones that is the major metabolite of the anthracycline doxorubicin, a chemotherapeutic agent effective against a broad range of malignant neoplasms. It is thought to exhibit cardiotoxic properties.
Synonyms:exact_synonym: (1S,3S)-3-[(1S)-1,2-dihydroxyethyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
 related_synonym: 13-dihydrodoxorubicin;   Antibiotic 27706RP;   DOXOL;   Formula=C27H31NO11;   InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1;   InChIKey=NKZRZOVSJNSBFR-FEMMEMONSA-N;   SMILES=C=1(O)C2=C(C(C3=C(C=CC=C3OC)C2=O)=O)C(O)=C4C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)([C@H](CO)O)O;   adriamycinol
 xref: CAS:54193-28-1;   HMDB:HMDB0041884;   PMID:10408701;   PMID:11448472;   PMID:12647011;   PMID:16168722;   PMID:1628370;   PMID:16614166;   PMID:16915573;   PMID:16958789;   PMID:17197005;   PMID:17379584;   PMID:18371724;   PMID:18967867;   PMID:19174209;   PMID:23192654;   PMID:23337906;   PMID:24631816;   PMID:25446851;   PMID:27447545;   PMID:2897122;   PMID:8298821;   PMID:8595168;   PMID:9261889;   PMID:9696578;   PMID:9888978;   Reaxys:6773847

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          anthracycline antibiotic 0
            doxorubicinol 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
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  cyclic hydrocarbon 0
                                    arene 0
                                      polycyclic arene 0
                                        ortho-fused polycyclic arene 0
                                          acene 0
                                            tetracene 0
                                              doxorubicinol 0
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