Preferred Name

doxorubicin

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

ID

http://purl.obolibrary.org/obo/CHEBI_28748

charge

0

database_cross_reference

PDBeChem:DM2

CAS:23214-92-8

Drug_Central:960

LIPID_MAPS_instance:LMPK13050001

KEGG:D03899

DrugBank:DB00997

LINCS:LSM-4062

KEGG:C01661

formula

C27H29NO11

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

has parent hydride

http://purl.obolibrary.org/obo/CHEBI_32600

has role

http://purl.obolibrary.org/obo/CHEBI_76971

has_alternative_id

CHEBI:42031

CHEBI:22270

CHEBI:2496

has_obo_namespace

chebi_ontology

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

id

CHEBI:28748

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_64816

label

doxorubicin

mass

543.51930

monoisotopicmass

543.17406

notation

CHEBI:28748

prefLabel

doxorubicin

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_139590

http://purl.obolibrary.org/obo/CHEBI_139592

http://purl.obolibrary.org/obo/CHEBI_49322

http://purl.obolibrary.org/obo/CHEBI_51286

http://purl.obolibrary.org/obo/CHEBI_47779

http://purl.obolibrary.org/obo/CHEBI_25830

http://purl.obolibrary.org/obo/CHEBI_35315

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_28748 OBA SAME_URI
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http://purl.obolibrary.org/obo/CHEBI_28748 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_28748 GO-PLUS SAME_URI
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