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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: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;   CAS:88254-07-3
 xref_mesh: MESH:C038555
 xref: PDBeChem:CMD


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3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Top1 DNA topoisomerase I increases activity ISO 3'-deamino-3'-(3-cyano-4-morpholinyl)doxorubicin results in increased activity of TOP1 protein CTD PMID:2164630 NCBI chr 3:149,293,658...149,375,405
Ensembl chr 3:149,293,403...149,376,623 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19810
      group 19769
        pseudohalo group 3977
          cyano group 3977
            nitrile 3977
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19810
      composite particle 19810
        hadron 19810
          baryon 19810
            nucleon 19810
              atomic nucleus 19810
                atom 19810
                  main group element atom 19755
                    p-block element atom 19755
                      carbon group element atom 19698
                        carbon atom 19693
                          organic molecular entity 19693
                            organic group 18902
                              organic divalent group 18884
                                organodiyl group 18884
                                  carbonyl group 18850
                                    carbonyl compound 18850
                                      ketone 17140
                                        oxyketone 8801
                                          alpha-oxyketone 8801
                                            alpha-hydroxy ketone 8801
                                              primary alpha-hydroxy ketone 7678
                                                doxorubicin 7451
                                                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
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