loading...| Preferred Name |
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|
| Synonyms |
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 Doxorubicin (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 doxorubicine doxorubicin 14-hydroxydaunomycin Adriamycin doxorubicinum 14-hydroxydaunorubicine (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 |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_28748 |
|
| charge |
0 |
|
| database_cross_reference |
MeSH:D004317 SNOMEDCT:68444001 SNOMEDCT:372817009 NCIt:C456 PDBeChem:DM2 CAS:23214-92-8 Drug_Central:960 LIPID_MAPS_instance:LMPK13050001 KEGG:D03899 DrugBank:DB00997 LINCS:LSM-4062 KEGG:C01661 |
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| formula |
C27H29NO11 |
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| has_alternative_id |
CHEBI:42031 CHEBI:22270 CHEBI:2496 |
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| has_exact_synonym |
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 Doxorubicin |
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| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
(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 doxorubicine doxorubicin 14-hydroxydaunomycin Adriamycin doxorubicinum 14-hydroxydaunorubicine (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 |
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| has_role | ||
| id |
CHEBI:28748 |
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| in_subset | ||
| 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 |
|
| inchikey |
AOJJSUZBOXZQNB-TZSSRYMLSA-N |
|
| label |
doxorubicin |
|
| mass |
543.51930 |
|
| monoisotopicmass |
543.17406 |
|
| notation |
CHEBI:28748 |
|
| 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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| subClassOf |