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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 20971
    role 20952
      biological role 20950
        antimicrobial agent 18045
          anthracycline antibiotic 7389
            doxorubicin 7382
              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 54
              4'-epidoxorubicinium 0
              nemorubicin 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 20971
    subatomic particle 20965
      composite particle 20965
        hadron 20965
          baryon 20965
            nucleon 20965
              atomic nucleus 20965
                atom 20965
                  main group element atom 20803
                    p-block element atom 20803
                      carbon group element atom 20543
                        carbon atom 20519
                          organic molecular entity 20519
                            organic group 19168
                              organic divalent group 19158
                                organodiyl group 19158
                                  carbonyl group 19130
                                    carbonyl compound 19130
                                      ketone 16241
                                        oxyketone 8601
                                          alpha-oxyketone 8601
                                            alpha-hydroxy ketone 8601
                                              primary alpha-hydroxy ketone 7567
                                                doxorubicin 7382
                                                  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 54
                                                  4'-epidoxorubicinium 0
                                                  nemorubicin 5
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.