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CHEBI:75091 - aclacinomycin N

ChEBI IDCHEBI:75091
ChEBI Nameaclacinomycin N
Stars
DefinitionAn anthracycline antibiotic that is aclacinomycin A in which the keto group on the trisaccharide fragment has been reduced in a stereospecific manner to the corresponding alcohol.
Last Modified6 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC42H55NO15
Net Charge0
Average Mass813.894
Monoisotopic Mass813.35717
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]4CC[C@H](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/C42H55NO15/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/h9-11,14,18-20,24-25,27-31,35,39-40,44-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,25-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
InChIKeyCPUWOKRFRYWIHK-BPPBZOKFSA-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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
aclacinomycin N (CHEBI:75091) has functional parent aklavinone (CHEBI:31181)
aclacinomycin N (CHEBI:75091) has role antimicrobial agent (CHEBI:33281)
aclacinomycin N (CHEBI:75091) has role antineoplastic agent (CHEBI:35610)
aclacinomycin N (CHEBI:75091) has role metabolite (CHEBI:25212)
aclacinomycin N (CHEBI:75091) is a aminoglycoside (CHEBI:47779)
aclacinomycin N (CHEBI:75091) is a anthracycline (CHEBI:48120)
aclacinomycin N (CHEBI:75091) is a methyl ester (CHEBI:25248)
aclacinomycin N (CHEBI:75091) is a phenols (CHEBI:33853)
aclacinomycin N (CHEBI:75091) is a polyketide (CHEBI:26188)
aclacinomycin N (CHEBI:75091) is a tertiary alcohol (CHEBI:26878)
aclacinomycin N (CHEBI:75091) is a tetracenequinones (CHEBI:51286)
aclacinomycin N (CHEBI:75091) is a trisaccharide derivative (CHEBI:63571)
aclacinomycin N (CHEBI:75091) is conjugate base of aclacinomycin N(1+) (CHEBI:74924)
aclacinomycin N (CHEBI:75091) is tautomer of aclacinomycin N zwitterion (CHEBI:77991)
Incoming Relation(s)
aclacinomycin N(1+) (CHEBI:74924) is conjugate acid of aclacinomycin N (CHEBI:75091)
aclacinomycin N zwitterion (CHEBI:77991) is tautomer of aclacinomycin N (CHEBI:75091)
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-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Synonyms  Source
Antibiotic MA 144N1ChemIDplus
MA 144 N1ChemIDplus
Manual XrefsDatabases
C18637KEGG COMPOUND
Registry NumbersSources
CAS:64474-88-0ChemIDplus
Citations