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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

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19728
    chemical entity 19726
      group 19641
        pseudohalo group 2772
          cyano group 2772
            nitrile 2772
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      ketone 15914
                                        oxyketone 8453
                                          alpha-oxyketone 8453
                                            alpha-hydroxy ketone 8453
                                              primary alpha-hydroxy ketone 7445
                                                doxorubicin 7263
                                                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
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