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Substrate Report for: Bottromycin-A2-MKW

Name Class
Bottromycin-A2-MKWTypeAntibiotic
Azabicyclo
Other_NameMQW
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
FormulaC38H54N8O9S
MW799
PaperSikandar_2020_Nat.Chem.Biol_16_1013
Structure6T6X
CommentSikandar A, Franz L, Adam S, Santos-Aberturas J, Horbal L, Luzhetskyy A, Truman AW, Kalinina OV, Koehnke J.
Gene_locus9actn-k4mhv9
CID146034907
FamilyBotH
InChIKeyXXAKUWJCGKVNK-JQXGNVTOSA-N
CanonicalSMILESCC(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
InChIInChI=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

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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