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CHEBI:74351 - aclacinomycin T
| Formula | C30H35NO10 |
| Net Charge | 0 |
| Average Mass | 569.607 |
| Monoisotopic Mass | 569.22610 |
| SMILES | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC |
| InChI | InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1 |
| InChIKey | LJZPVWKMAYDYAS-QKKPTTNWSA-N |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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 |
|---|
| Outgoing Relation(s) |
| aclacinomycin T (CHEBI:74351) has functional parent aklavinone (CHEBI:31181) |
| aclacinomycin T (CHEBI:74351) has role antimicrobial agent (CHEBI:33281) |
| aclacinomycin T (CHEBI:74351) has role antineoplastic agent (CHEBI:35610) |
| aclacinomycin T (CHEBI:74351) has role metabolite (CHEBI:25212) |
| aclacinomycin T (CHEBI:74351) is a aminoglycoside (CHEBI:47779) |
| aclacinomycin T (CHEBI:74351) is a anthracycline (CHEBI:48120) |
| aclacinomycin T (CHEBI:74351) is a deoxy hexoside (CHEBI:35315) |
| aclacinomycin T (CHEBI:74351) is a methyl ester (CHEBI:25248) |
| aclacinomycin T (CHEBI:74351) is a monosaccharide derivative (CHEBI:63367) |
| aclacinomycin T (CHEBI:74351) is a phenols (CHEBI:33853) |
| aclacinomycin T (CHEBI:74351) is a polyketide (CHEBI:26188) |
| aclacinomycin T (CHEBI:74351) is a tertiary alcohol (CHEBI:26878) |
| aclacinomycin T (CHEBI:74351) is a tetracenequinones (CHEBI:51286) |
| aclacinomycin T (CHEBI:74351) is conjugate base of aclacinomycin T(1+) (CHEBI:74755) |
| aclacinomycin T (CHEBI:74351) is tautomer of aclacinomycin T zwitterion (CHEBI:77979) |
| Incoming Relation(s) |
| aclacinomycin T(1+) (CHEBI:74755) is conjugate acid of aclacinomycin T (CHEBI:74351) |
| aclacinomycin T zwitterion (CHEBI:77979) is tautomer of aclacinomycin T (CHEBI:74351) |
| IUPAC Name |
|---|
| methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
| Synonyms | Source |
|---|---|
| 1-deoxypyrromycin | ChemIDplus |
| aclacinomycin T | ChemIDplus |
| aklavin | ChemIDplus |
| aklavine | ChEBI |
| antibiotic MA 144T1 | ChemIDplus |
| doxypyrromycin | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 3VL | PDBeChem |
| C18634 | KEGG COMPOUND |
| US2009149545 | Patent |
| US7544712 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4898215 | Reaxys |
| CAS:60504-57-6 | KEGG COMPOUND |
| CAS:60504-57-6 | ChemIDplus |
| Citations |
|---|