CHEBI:42068 - idarubicin

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ChEBI Name idarubicin
ChEBI ID CHEBI:42068
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35758, CHEBI:42066
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Formula C26H27NO9
Net Charge 0
Average Mass 497.49392
Monoisotopic Mass 497.169
InChI InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
InChIKey XDXDZDZNSLXDNA-TZNDIEGXSA-N
SMILES C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via anthracycline antibiotic )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing idarubicin (CHEBI:42068) has parent hydride tetracene (CHEBI:32600)
idarubicin (CHEBI:42068) is a anthracycline antibiotic (CHEBI:49322)
idarubicin (CHEBI:42068) is a deoxy hexoside (CHEBI:35315)
idarubicin (CHEBI:42068) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonyms Sources
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside ChEBI
4-Demethoxydaunomycin ChemIDplus
4-Demethoxydaunorubicin ChemIDplus
5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)- ChemIDplus
Manual Xrefs Databases
1414 DrugCentral
DB01177 DrugBank
Idarubicin Wikipedia
LSM-5769 LINCS
View more database links
Registry Numbers Types Sources
3641270 Beilstein Registry Number Beilstein
58957-92-9 CAS Registry Number ChemIDplus
Last Modified
22 February 2017