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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 HSPA8 heat shock protein family A (Hsp70) member 8 increases expression EXP Doxorubicin results in increased expression of HSPA1A protein CTD PMID:15810080 NCBI chr 9:49,982,278...49,986,760
Ensembl chr 9:49,982,284...49,990,508
JBrowse link
G MMP1 matrix metallopeptidase 1 increases activity
increases expression
EXP Doxorubicin results in increased activity of MMP1 protein
Doxorubicin results in increased expression of MMP1 mRNA
CTD PMID:19782292 NCBI chr 9:33,411,738...33,420,205
Ensembl chr 9:33,411,065...33,454,000
JBrowse link
G MMP14 matrix metallopeptidase 14 increases expression
increases activity
EXP Doxorubicin results in increased expression of MMP14 mRNA
Doxorubicin results in increased activity of MMP14 protein
CTD PMID:19782292 NCBI chr 7:76,174,502...76,185,931
Ensembl chr 7:76,174,500...76,185,923
JBrowse link
G MMP2 matrix metallopeptidase 2 increases expression
increases activity
EXP Doxorubicin results in increased expression of MMP2 mRNA
Doxorubicin results in increased activity of MMP2 protein
CTD PMID:19782292 NCBI chr 6:30,059,247...30,087,031
Ensembl chr 6:30,058,594...30,086,982
JBrowse link
G MMP9 matrix metallopeptidase 9 increases expression
increases activity
EXP Doxorubicin results in increased expression of MMP9 mRNA
Doxorubicin results in increased activity of MMP9 protein
CTD PMID:19782292 NCBI chr17:48,179,690...48,186,782
Ensembl chr17:48,175,056...48,188,264
JBrowse link
G TNF tumor necrosis factor decreases expression EXP Doxorubicin results in decreased expression of TNF mRNA CTD PMID:15810080 NCBI chr 7:23,699,635...23,702,393
Ensembl chr 7:23,699,636...23,703,655
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 875
    role 855
      biological role 855
        antimicrobial agent 230
          anthracycline antibiotic 6
            doxorubicin 6
              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 875
    subatomic particle 860
      composite particle 860
        hadron 860
          baryon 860
            nucleon 860
              atomic nucleus 860
                atom 860
                  main group element atom 850
                    p-block element atom 847
                      carbon group element atom 823
                        carbon atom 822
                          organic molecular entity 822
                            organic group 391
                              organic divalent group 389
                                organodiyl group 389
                                  carbonyl group 388
                                    carbonyl compound 388
                                      ketone 177
                                        oxyketone 98
                                          alpha-oxyketone 98
                                            alpha-hydroxy ketone 98
                                              primary alpha-hydroxy ketone 16
                                                doxorubicin 6
                                                  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
paths to the root