CHEBI:75093 - aclacinomycin Y

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ChEBI Name aclacinomycin Y
ChEBI ID CHEBI:75093
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H51NO15
Net Charge 0
Average Mass 809.85200
Monoisotopic Mass 809.32587
InChI InChI=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
InChIKey ADCDIHNCUQOKFP-SVEJIMAYSA-N
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=O)C=C4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Roles Classification
Biological Role(s): 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.
(via anthracycline )
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ChEBI Ontology
Outgoing 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 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 Y ChemIDplus
Manual Xref Database
C18639 KEGG COMPOUND
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Registry Number Type Source
66789-14-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17395717 PubMed citation Europe PMC
528393 PubMed citation Europe PMC
Last Modified
06 March 2015