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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 paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        antimicrobial agent 17472
          anthracycline antibiotic 7365
            doxorubicinol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      ketone 16957
                                        cyclic ketone 15522
                                          quinone 8385
                                            acenoquinone 7515
                                              tetracenequinones 7392
                                                doxorubicinol 0
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