CHEBI:31059 - 13-dihydrodaunorubicin

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ChEBI Name 13-dihydrodaunorubicin
ChEBI ID CHEBI:31059
Definition An aminoglycoside antibiotic that is (1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene having a 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl residue attached at position 1 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C27H31NO10
Net Charge 0
Average Mass 529.53570
Monoisotopic Mass 529.19480
InChI InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11?,14-,16-,17-,22+,27-/m0/s1
InChIKey HJEZFVLKJYFNQW-FKKRWUELSA-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(C)O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via carbohydrate-containing antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13-dihydrodaunorubicin (CHEBI:31059) has parent hydride tetracene (CHEBI:32600)
13-dihydrodaunorubicin (CHEBI:31059) is a p-quinones (CHEBI:25830)
13-dihydrodaunorubicin (CHEBI:31059) is a aminoglycoside antibiotic (CHEBI:22507)
13-dihydrodaunorubicin (CHEBI:31059) is a anthracycline (CHEBI:48120)
13-dihydrodaunorubicin (CHEBI:31059) is a deoxy hexoside (CHEBI:35315)
13-dihydrodaunorubicin (CHEBI:31059) is a monosaccharide derivative (CHEBI:63367)
13-dihydrodaunorubicin (CHEBI:31059) is conjugate base of 13-dihydrodaunorubicin(1+) (CHEBI:75296)
Incoming (13S)-13-dihydrodaunorubicin (CHEBI:31031) is a 13-dihydrodaunorubicin (CHEBI:31059)
13-dihydrodaunorubicin(1+) (CHEBI:75296) is conjugate acid of 13-dihydrodaunorubicin (CHEBI:31059)
IUPAC Name
(1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonyms Sources
1-Hydroxy-13-dihydrodaunomycin ChemIDplus
13-Dihydrodaunomycin ChemIDplus
Antibiotic 20-798RP ChemIDplus
Daunomycinol ChemIDplus
Daunorubicinol ChemIDplus
Dihydrodaunomycin ChemIDplus
Duborimycin ChemIDplus
Leukaemomycin D ChemIDplus
Manual Xrefs Databases
C12430 KEGG COMPOUND
LMPK13050004 LIPID MAPS
View more database links
Registry Numbers Types Sources
28008-55-1 CAS Registry Number KEGG COMPOUND
28008-55-1 CAS Registry Number ChemIDplus
6773802 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
9098063 PubMed citation Europe PMC
9864343 PubMed citation Europe PMC
Last Modified
06 June 2016