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ONTOLOGY REPORT - ANNOTATIONS


Term:nemorubicin
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Accession:CHEBI:42053 term browser browse the term
Definition:An anthracycline antibiotic that has formula C32H37NO13.
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 2,3,6-trideoxy-3-[(2S)-2-methoxymorpholin-4-yl]-alpha-L-lyxo-hexopyranoside
 related_synonym: (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-((S)-2-methoxymorpholino)-alpha-L-lyxo-hexopyranoside;   3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN;   3'-deamino-3'-(2-methoxymorpholin-4-yl)doxorubicin;   Formula=C32H37NO13;   InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1;   InChIKey=CTMCWCONSULRHO-UHQPFXKFSA-N;   Methoxymorpholino-doxorubicin;   Methoxymorpholinyl doxorubicin;   SMILES=CO[C@@H]1CN(CCO1)[C@H]1C[C@@H](O[C@@H](C)[C@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(=O)CO
 xref: CAS:108852-90-0 "ChemIDplus"
 xref_mesh: MESH:C066998
 xref: PDBeChem:DMM


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nemorubicin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcc1 ATP binding cassette subfamily C member 1 JBrowse link 10 549,537 672,235 RGD:6480464
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 JBrowse link 12 11,641,500 11,677,818 RGD:6480464
G Cyp3a23/3a1 cytochrome P450, family 3, subfamily a, polypeptide 23/polypeptide 1 JBrowse link 12 11,053,888 11,082,742 RGD:6480464
G Nr1h4 nuclear receptor subfamily 1, group H, member 4 JBrowse link 7 30,003,429 30,162,095 RGD:6480464
G Por cytochrome p450 oxidoreductase JBrowse link 12 23,998,411 24,017,063 RGD:6480464
G Ppard peroxisome proliferator-activated receptor delta JBrowse link 20 7,818,289 7,883,482 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19596
    role 19539
      biological role 19537
        antimicrobial agent 17048
          anthracycline antibiotic 7257
            nemorubicin 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19596
    subatomic particle 19592
      composite particle 19592
        hadron 19592
          baryon 19592
            nucleon 19592
              atomic nucleus 19592
                atom 19592
                  main group element atom 19471
                    p-block element atom 19471
                      carbon group element atom 19345
                        carbon atom 19337
                          organic molecular entity 19337
                            organic group 18299
                              organic divalent group 18289
                                organodiyl group 18289
                                  carbonyl group 18176
                                    carbonyl compound 18176
                                      ketone 15646
                                        oxyketone 8065
                                          alpha-oxyketone 8065
                                            alpha-hydroxy ketone 8065
                                              primary alpha-hydroxy ketone 7429
                                                doxorubicin 7250
                                                  nemorubicin 6
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.