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CHEBI:85897 - 11-deoxy-β-rhodomycin

ChEBI IDCHEBI:85897
ChEBI Name11-deoxy-β-rhodomycin
Stars
ASCII Name11-deoxy-beta-rhodomycin
DefinitionA member of the class of anthracyclines that is β-rhodomycin lacking the phenolic hydroxy group at position 11.
Last Modified6 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC28H33NO9
Net Charge0
Average Mass527.570
Monoisotopic Mass527.21553
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1O
InChIInChI=1S/C28H33NO9/c1-5-28(36)11-18(38-19-10-16(29(3)4)23(31)12(2)37-19)21-15(27(28)35)9-14-22(26(21)34)25(33)20-13(24(14)32)7-6-8-17(20)30/h6-9,12,16,18-19,23,27,30-31,34-36H,5,10-11H2,1-4H3/t12-,16-,18-,19-,23+,27+,28+/m0/s1
InChIKeyIWALHFMBCZSCRZ-SONOWFOZSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
11-deoxy-β-rhodomycin (CHEBI:85897) is a p-quinones (CHEBI:25830)
11-deoxy-β-rhodomycin (CHEBI:85897) is a aminoglycoside (CHEBI:47779)
11-deoxy-β-rhodomycin (CHEBI:85897) is a anthracycline (CHEBI:48120)
11-deoxy-β-rhodomycin (CHEBI:85897) is a deoxy hexoside (CHEBI:35315)
11-deoxy-β-rhodomycin (CHEBI:85897) is a monosaccharide derivative (CHEBI:63367)
11-deoxy-β-rhodomycin (CHEBI:85897) is a polyphenol (CHEBI:26195)
11-deoxy-β-rhodomycin (CHEBI:85897) is tautomer of 11-deoxy-β-rhodomycin zwitterion (CHEBI:85430)
Incoming Relation(s)
11-deoxy-β-rhodomycin zwitterion (CHEBI:85430) is tautomer of 11-deoxy-β-rhodomycin (CHEBI:85897)
IUPAC Name 
(1S,3R,4R)-3-ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranoside
Registry NumbersSources
Reaxys:7786739Reaxys
Citations