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ONTOLOGY REPORT - ANNOTATIONS


Term:3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin
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Accession:CHEBI:41576 term browser browse the term
Definition:A morpholine that has formula C32H34N2O12.
Synonyms:exact_synonym: (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
 related_synonym: 3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin;   3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN;   Cyanomorpholinoadriamycin;   Formula=C32H34N2O12;   InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15?,18-,20-,22-,27+,32-/m0/s1;   InChIKey=YIMDLWDNDGKDTJ-QLKYHASDSA-N;   SMILES=COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N5CCOCC5C#N)c4c(O)c3C(=O)c12)C(=O)CO
 xref: Beilstein:6050053 "Beilstein";   CAS:88254-07-3 "ChemIDplus"
 xref_mesh: MESH:C038555
 xref: PDBeChem:CMD


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3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Top1 DNA topoisomerase I JBrowse link 3 156,635,688 156,717,686 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    chemical entity 19667
      group 19582
        pseudohalo group 2767
          cyano group 2767
            nitrile 2767
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      ketone 15789
                                        oxyketone 8443
                                          alpha-oxyketone 8443
                                            alpha-hydroxy ketone 8443
                                              primary alpha-hydroxy ketone 7435
                                                doxorubicin 7257
                                                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
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