Substrate Report for: Aclacinomycin
Aclacinomycin | Type | Antibiotic |
| Other_Name (5) |
| Chemical_Nomenclature | methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate |
| Formula | C30H35NO10 |
| CAS_number | 60504-57-6 |
| MW | 569.59 |
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| Paper | Jansson_2003_J.Biol.Chem_278_39006 |
| | Wang_2000_Biochim.Biophys.Acta_1480_191 |
| Structure | 1Q0Z |
| Gene_locus | strpu-rdmC |
| CID | 149755 |
| Family | Aclacinomycin-methylesterase_RdmC |
| InChIKey | LJZPVWKMAYDYAS-QKKPTTNWSA-N |
| CanonicalSMILES | CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)O)N(C)C)O |
| 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 |
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