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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: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;   DrugBank:DB00997;   Drug_Central:960;   KEGG:C01661;   KEGG:D03899;   LINCS:LSM-4062;   LIPID_MAPS_instance:LMPK13050001
 xref_mesh: MESH:D004317
 xref: PDBeChem:DM2
 cyclic_relationship: is_conjugate_base_of CHEBI:64816



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doxorubicin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G ABCB1 ATP binding cassette subfamily B member 1 increases expression
affects response to substance
multiple interactions
EXP Doxorubicin results in increased expression of ABCB1 protein
ABCB1 protein affects the susceptibility to Doxorubicin
valspodar inhibits the reaction [ABCB1 protein affects the susceptibility to Doxorubicin]; valspodar inhibits the reaction [ABCB1 protein results in decreased susceptibility to Doxorubicin]
CTD PMID:15492788 PMID:24975508 PMID:28093773 NCBI chr14:13,644,891...13,852,829
Ensembl chr14:13,542,647...13,742,727
JBrowse link
G HGF hepatocyte growth factor decreases response to substance EXP HGF protein results in decreased susceptibility to Doxorubicin CTD PMID:15688034 NCBI chr18:21,329,688...21,410,257
Ensembl chr18:21,332,817...21,410,263
JBrowse link
G TNNT2 troponin T2, cardiac type affects expression EXP Doxorubicin affects the expression of TNNT2 protein CTD PMID:12322705 NCBI chr 7:1,598,306...1,620,531
Ensembl chr 7:1,598,306...1,613,741
JBrowse link
G VIP vasoactive intestinal peptide decreases expression EXP Doxorubicin results in decreased expression of VIP protein CTD PMID:3711722 NCBI chr 1:42,941,655...42,950,160
Ensembl chr 1:42,941,224...42,950,700
JBrowse link
G XIAP X-linked inhibitor of apoptosis affects response to substance EXP XIAP affects the susceptibility to Doxorubicin CTD PMID:16953886 NCBI chr  X:95,300,234...95,356,103
Ensembl chr  X:95,331,827...95,351,582
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 1271
    role 1271
      biological role 1271
        antimicrobial agent 124
          anthracycline antibiotic 5
            doxorubicin 5
              1-O-demethyl-6-deoxydoxorubicin 0
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 0
              4'-deoxy-4'-iododoxorubicin 0
              4'-deoxy-4'-iododoxorubicinium 0
              4'-epidoxorubicin 0
              4'-epidoxorubicinium 0
              nemorubicin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 1271
    subatomic particle 1271
      composite particle 1271
        hadron 1271
          baryon 1271
            nucleon 1271
              atomic nucleus 1271
                atom 1271
                  main group element atom 1264
                    main group molecular entity 1264
                      s-block molecular entity 1214
                        hydrogen molecular entity 1214
                          hydrides 372
                            organic hydride 76
                              organic fundamental parent 76
                                hydrocarbon 54
                                  cyclic hydrocarbon 26
                                    arene 25
                                      polycyclic arene 8
                                        ortho-fused polycyclic arene 8
                                          acene 5
                                            tetracene 5
                                              doxorubicin 5
                                                1-O-demethyl-6-deoxydoxorubicin 0
                                                3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 0
                                                4'-deoxy-4'-iododoxorubicin 0
                                                4'-deoxy-4'-iododoxorubicinium 0
                                                4'-epidoxorubicin 0
                                                4'-epidoxorubicinium 0
                                                nemorubicin 0
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