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ONTOLOGY REPORT - ANNOTATIONS


Term:4'-deoxy-4'-iododoxorubicin
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Accession:CHEBI:47897 term browser browse the term
Definition:An organoiodine compound that has formula C27H28INO10.
Synonyms:exact_synonym: (8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
 related_synonym: 4'-Iodo-4'-deoxydoxorubicin;   Formula=C27H28INO10;   InChI=1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)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/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1;   InChIKey=PDQGEKGUTOTUNV-TZSSRYMLSA-N;   Iododoxorubicin;   SMILES=COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](I)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
 xref: Beilstein:9032204 "Beilstein";   CAS:83997-75-5 "ChemIDplus"
 cyclic_relationship: is_conjugate_acid_of CHEBI:42037


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  CHEBI ontology 19657
    role 19601
      biological role 19599
        antimicrobial agent 17148
          anthracycline antibiotic 7258
            doxorubicin 7251
              4'-deoxy-4'-iododoxorubicin 0
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  CHEBI ontology 19657
    subatomic particle 19653
      composite particle 19653
        hadron 19653
          baryon 19653
            nucleon 19653
              atomic nucleus 19653
                atom 19653
                  main group element atom 19534
                    p-block element atom 19534
                      carbon group element atom 19417
                        carbon atom 19409
                          organic molecular entity 19409
                            organic group 18338
                              organic divalent group 18329
                                organodiyl group 18329
                                  carbonyl group 18218
                                    carbonyl compound 18218
                                      ketone 15784
                                        oxyketone 8438
                                          alpha-oxyketone 8438
                                            alpha-hydroxy ketone 8438
                                              primary alpha-hydroxy ketone 7432
                                                doxorubicin 7251
                                                  4'-deoxy-4'-iododoxorubicin 0
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