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CHEBI:75093 - aclacinomycin Y

ChEBI IDCHEBI:75093
ChEBI Nameaclacinomycin Y
Stars
DefinitionAn anthracycline antibiotic that is aclacinomycin A in which the ketone function on the trisaccharide fragment has undergone 2,3-dehydrogenation to afford the corresponding enone.
Last Modified6 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC42H51NO15
Net Charge0
Average Mass809.862
Monoisotopic Mass809.32587
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C=CC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
InChIInChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
InChIKeyADCDIHNCUQOKFP-SVEJIMAYSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
aclacinomycin Y (CHEBI:75093) has functional parent aklavinone (CHEBI:31181)
aclacinomycin Y (CHEBI:75093) has role antimicrobial agent (CHEBI:33281)
aclacinomycin Y (CHEBI:75093) has role metabolite (CHEBI:25212)
aclacinomycin Y (CHEBI:75093) is a aminoglycoside (CHEBI:47779)
aclacinomycin Y (CHEBI:75093) is a anthracycline (CHEBI:48120)
aclacinomycin Y (CHEBI:75093) is a enone (CHEBI:51689)
aclacinomycin Y (CHEBI:75093) is a methyl ester (CHEBI:25248)
aclacinomycin Y (CHEBI:75093) is a phenols (CHEBI:33853)
aclacinomycin Y (CHEBI:75093) is a polyketide (CHEBI:26188)
aclacinomycin Y (CHEBI:75093) is a tertiary alcohol (CHEBI:26878)
aclacinomycin Y (CHEBI:75093) is a tetracenequinones (CHEBI:51286)
aclacinomycin Y (CHEBI:75093) is a trisaccharide derivative (CHEBI:63571)
aclacinomycin Y (CHEBI:75093) is conjugate base of aclacinomycin Y(1+) (CHEBI:74929)
aclacinomycin Y (CHEBI:75093) is tautomer of aclacinomycin Y zwitterion (CHEBI:77985)
Incoming Relation(s)
aclacinomycin Y(1+) (CHEBI:74929) is conjugate acid of aclacinomycin Y (CHEBI:75093)
aclacinomycin Y zwitterion (CHEBI:77985) is tautomer of aclacinomycin Y (CHEBI:75093)
IUPAC Name 
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Synonym  Source
MA 144 YChemIDplus
Manual XrefsDatabases
C18639KEGG COMPOUND
Registry NumbersSources
CAS:66789-14-8KEGG COMPOUND
CAS:66789-14-8ChemIDplus
Citations