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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: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. 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. 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. |
| 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 |
| aclarubicinum | ChemIDplus |
| aclarubicine | ChemIDplus |
| aclarubicina | WHO MedNet |
| Synonym | Source |
|---|---|
| MA 144-A1 | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4901152 | Reaxys |
| CAS:57576-44-0 | KEGG COMPOUND |
| CAS:57576-44-0 | ChemIDplus |
| Citations |
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