CHEBI:79176 - aclacinomycin S

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ChEBI Name aclacinomycin S
Definition An anthracycline antibiotic that is produced by Streptomyces galilaeus and also exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H45NO13
Net Charge 0
Average Mass 699.74140
Monoisotopic Mass 699.28909
InChI InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1
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](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.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing aclacinomycin S (CHEBI:79176) has functional parent aklavinone (CHEBI:31181)
aclacinomycin S (CHEBI:79176) has role antimicrobial agent (CHEBI:33281)
aclacinomycin S (CHEBI:79176) has role antineoplastic agent (CHEBI:35610)
aclacinomycin S (CHEBI:79176) has role bacterial metabolite (CHEBI:76969)
aclacinomycin S (CHEBI:79176) is a aminoglycoside (CHEBI:47779)
aclacinomycin S (CHEBI:79176) is a anthracycline (CHEBI:48120)
aclacinomycin S (CHEBI:79176) is a disaccharide derivative (CHEBI:63353)
aclacinomycin S (CHEBI:79176) is a methyl ester (CHEBI:25248)
aclacinomycin S (CHEBI:79176) is a phenols (CHEBI:33853)
aclacinomycin S (CHEBI:79176) is a polyketide (CHEBI:26188)
aclacinomycin S (CHEBI:79176) is a tetracenequinones (CHEBI:51286)
aclacinomycin S (CHEBI:79176) is tautomer of aclacinomycin S zwitterion (CHEBI:78303)
Incoming aclacinomycin S zwitterion (CHEBI:78303) is tautomer of aclacinomycin S (CHEBI:79176)
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Synonyms Sources
Antibiotic MA 144S1 ChemIDplus
L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone KEGG COMPOUND
MA 144 S1 ChemIDplus
MA144 S1 ChemIDplus
Manual Xrefs Databases
CPD-15765 MetaCyc
View more database links
Registry Numbers Types Sources
64431-69-2 CAS Registry Number ChemIDplus
8605426 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
3917377 PubMed citation Europe PMC
6931828 PubMed citation Europe PMC
6941952 PubMed citation Europe PMC
6956531 PubMed citation Europe PMC
7411850 PubMed citation Europe PMC
Last Modified
06 March 2015