Substrate Report for: Bottromycin-A2-MKW
Bottromycin-A2-MKW | Type | Antibiotic |
| | Azabicyclo |
| Other_Name | MQW |
| Chemical_Nomenclature | (4R)-2-[(1R)-2-Carboxy-1-[[(2S)-2-[[(2S)-3-methyl-2-[[(6S,9S,12S)-2,8,11-trioxo-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
| Formula | C38H54N8O9S |
| MW | 799 |
| |
| Paper | Sikandar_2020_Nat.Chem.Biol_16_1013 |
| Structure | 6T6X |
| Comment | Sikandar A, Franz L, Adam S, Santos-Aberturas J, Horbal L, Luzhetskyy A, Truman AW, Kalinina OV, Koehnke J. |
| Gene_locus | 9actn-k4mhv9 |
| CID | 146034907 |
| Family | BotH |
| InChIKey | XXAKUWJCGKVNK-JQXGNVTOSA-N |
| CanonicalSMILES | CC(C)C1C(=O)NC(C(=NCC(=O)N2CCCC2C(=O)N1)NC(C(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=NC(CS4)C(=O)O)C(C)C |
| InChI | InChI=1S/C38H54N8O9S/c1-19(2)29-32(39-17-27(47)46-14-10-13-26(46)34(51)45-31(21(5)6)36(53)44-29)43-30(20(3)4)35(52)40-23(15-22-11-8-7-9-12-22)33(50)41-24(16-28(48)49)37-42-25(18-56-37)38(54)55/h7-9,11-12,19-21,23-26,29-31H,10,13-18H2,1-6H3,(H,39,43)(H,40,52)(H,41,50)(H,44,53)(H,45,51)(H,48,49)(H,54,55)/t23-,24+,25-,26-,29-,30-,31-/m0/s1 |
|
|