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CHEBI:74619 - aclacinomycin A
| Formula | C42H53NO15 |
| Net Charge | 0 |
| Average Mass | 811.878 |
| Monoisotopic Mass | 811.34152 |
| SMILES | CC[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]4CCC(=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 |
| InChI | InChI=1S/C42H53NO15/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/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1 |
| InChIKey | USZYSDMBJDPRIF-SVEJIMAYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. 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 |
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| Outgoing Relation(s) |
| aclacinomycin A (CHEBI:74619) has functional parent aklavinone (CHEBI:31181) |
| aclacinomycin A (CHEBI:74619) has role antimicrobial agent (CHEBI:33281) |
| aclacinomycin A (CHEBI:74619) has role antineoplastic agent (CHEBI:35610) |
| aclacinomycin A (CHEBI:74619) has role apoptosis inducer (CHEBI:68495) |
| aclacinomycin A (CHEBI:74619) has role bacterial metabolite (CHEBI:76969) |
| aclacinomycin A (CHEBI:74619) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750) |
| aclacinomycin A (CHEBI:74619) is a aminoglycoside (CHEBI:47779) |
| aclacinomycin A (CHEBI:74619) is a anthracycline (CHEBI:48120) |
| aclacinomycin A (CHEBI:74619) is a methyl ester (CHEBI:25248) |
| aclacinomycin A (CHEBI:74619) is a phenols (CHEBI:33853) |
| aclacinomycin A (CHEBI:74619) is a polyketide (CHEBI:26188) |
| aclacinomycin A (CHEBI:74619) is a tetracenequinones (CHEBI:51286) |
| aclacinomycin A (CHEBI:74619) is a trisaccharide derivative (CHEBI:63571) |
| aclacinomycin A (CHEBI:74619) is conjugate base of aclacinomycin A(1+) (CHEBI:74353) |
| aclacinomycin A (CHEBI:74619) is tautomer of aclacinomycin A zwitterion (CHEBI:77980) |
| Incoming Relation(s) |
| aclacinomycin A(1+) (CHEBI:74353) is conjugate acid of aclacinomycin A (CHEBI:74619) |
| aclacinomycin A zwitterion (CHEBI:77980) is tautomer of aclacinomycin A (CHEBI:74619) |
| 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-oxotetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
| INNs | Source |
|---|---|
| aclarubicin | KEGG DRUG |
| aclarubicina | WHO MedNet |
| aclarubicine | ChemIDplus |
| aclarubicinum | ChemIDplus |
| Synonym | Source |
|---|---|
| MA 144-A1 | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4901152 | Reaxys |
| CAS:57576-44-0 | ChemIDplus |
| CAS:57576-44-0 | KEGG COMPOUND |
| Citations |
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