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EFO
Experimental Factor Ontology
(EFO)
OWL
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Last submission date March 29, 2025
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<div><div class='d-flex align-items-center'> <span class="flag-icon flag-icon-gb"></span> <div class='ml-1'> English </div> </div> </div>
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ID
http://purl.obolibrary.org/obo/CHEBI_28748
http://purl.obolibrary.org/obo/CHEBI_28748
https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_28748
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Preferred name
doxorubicin
Synonyms
DOXORUBICIN
Doxorubicin
(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
14-hydroxydaunomycin
14-hydroxydaunorubicine
Adriamycin
doxorubicin
doxorubicine
doxorubicinum
(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
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Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_24431
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rdfs:label
doxorubicin
skos:notation
CHEBI:28748
oboinowl_gen:hasExactSynonym
DOXORUBICIN
Doxorubicin
(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
oboinowl_gen:hasDbXref
CAS:23214-92-8
DrugBank:DB00997
Drug_Central:960
KEGG:C01661
KEGG:D03899
LINCS:LSM-4062
LIPID_MAPS_instance:LMPK13050001
PDBeChem:DM2
MeSH:D004317
NCIt:C456
SNOMEDCT:372817009
SNOMEDCT:68444001
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oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:28748
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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has_role
http://purl.obolibrary.org/obo/CHEBI_33281
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oboinowl_gen:hasRelatedSynonym
14-hydroxydaunomycin
14-hydroxydaunorubicine
Adriamycin
doxorubicin
doxorubicine
doxorubicinum
(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
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oboinowl_gen:hasAlternativeId
CHEBI:22270
CHEBI:2496
CHEBI:42031
obo_purl:charge
0
obo_purl:formula
C27H29NO11
obo_purl:inchi
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
obo_purl:inchikey
AOJJSUZBOXZQNB-TZSSRYMLSA-N
obo_purl:mass
543.51930
obo_purl:monoisotopicmass
543.17406
obo_purl: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
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