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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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      group 19733
        pseudohalo group 3489
          cyano group 3489
            nitrile 3489
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      ketone 16924
                                        oxyketone 8656
                                          alpha-oxyketone 8656
                                            alpha-hydroxy ketone 8656
                                              primary alpha-hydroxy ketone 7537
                                                doxorubicin 7352
                                                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
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