Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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



show annotations for term's descendants           Sort by:
 
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 20056
    chemical entity 20055
      group 19986
        pseudohalo group 3902
          cyano group 3902
            nitrile 3902
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic group 18961
                              organic divalent group 18947
                                organodiyl group 18947
                                  carbonyl group 18900
                                    carbonyl compound 18900
                                      ketone 17091
                                        oxyketone 8765
                                          alpha-oxyketone 8765
                                            alpha-hydroxy ketone 8765
                                              primary alpha-hydroxy ketone 7640
                                                doxorubicin 7413
                                                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
paths to the root