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CHEBI:31059 - 13-dihydrodaunorubicin

ChEBI IDCHEBI:31059
ChEBI Name13-dihydrodaunorubicin
Stars
DefinitionAn 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.
Last Modified6 June 2016
DownloadsMolfile
FormulaC27H31NO10
Net Charge0
Average Mass529.542
Monoisotopic Mass529.19480
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChIInChI=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
InChIKeyHJEZFVLKJYFNQW-FKKRWUELSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
1-Hydroxy-13-dihydrodaunomycinChemIDplus
DuborimycinChemIDplus
DaunorubicinolChemIDplus
13-DihydrodaunomycinChemIDplus
Leukaemomycin DChemIDplus
Antibiotic 20-798RPChemIDplus
Manual XrefsDatabases
C12430KEGG COMPOUND
LMPK13050004LIPID MAPS
Registry NumbersSources
Reaxys:6773802Reaxys
CAS:28008-55-1KEGG COMPOUND
CAS:28008-55-1ChemIDplus
Citations