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ONTOLOGY REPORT - ANNOTATIONS


Term:doxorubicin
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Accession:CHEBI:28748 term browser browse the term
Definition:An anthracycline antibiotic that has formula C27H29NO11.
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-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
 related_synonym: (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside;   (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;   14-hydroxydaunomycin;   14-hydroxydaunorubicine;   Adriamycin;   Formula=C27H29NO11;   InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1;   InChIKey=AOJJSUZBOXZQNB-TZSSRYMLSA-N;   SMILES=COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO;   doxorubicine;   doxorubicinum
 alt_id: CHEBI:22270;   CHEBI:2496;   CHEBI:42031
 xref: CAS:23214-92-8 "ChemIDplus";   CAS:23214-92-8 "KEGG COMPOUND";   DrugBank:DB00997;   Drug_Central:960 "DrugCentral";   KEGG:C01661;   KEGG:D03899;   LINCS:LSM-4062;   LIPID_MAPS_instance:LMPK13050001 "LIPID MAPS"
 xref_mesh: MESH:D004317
 xref: PDBeChem:DM2
 cyclic_relationship: is_conjugate_base_of CHEBI:64816


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19614
    role 19557
      biological role 19550
        antimicrobial agent 17062
          anthracycline antibiotic 7257
            doxorubicin 7250
              1-O-demethyl-6-deoxydoxorubicin 0
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
              4'-deoxy-4'-iododoxorubicin 0
              4'-deoxy-4'-iododoxorubicinium 0
              4'-epidoxorubicin 52
              4'-epidoxorubicinium 0
              nemorubicin 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19614
    subatomic particle 19610
      composite particle 19610
        hadron 19610
          baryon 19610
            nucleon 19610
              atomic nucleus 19610
                atom 19610
                  main group element atom 19489
                    p-block element atom 19489
                      carbon group element atom 19362
                        carbon atom 19354
                          organic molecular entity 19354
                            organic group 18313
                              organic divalent group 18303
                                organodiyl group 18303
                                  carbonyl group 18188
                                    carbonyl compound 18188
                                      ketone 15651
                                        oxyketone 8068
                                          alpha-oxyketone 8068
                                            alpha-hydroxy ketone 8068
                                              primary alpha-hydroxy ketone 7432
                                                doxorubicin 7250
                                                  1-O-demethyl-6-deoxydoxorubicin 0
                                                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
                                                  4'-deoxy-4'-iododoxorubicin 0
                                                  4'-deoxy-4'-iododoxorubicinium 0
                                                  4'-epidoxorubicin 52
                                                  4'-epidoxorubicinium 0
                                                  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.