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Substrate Report for: Pimaricin-linear-analogue-synthetic

Name Class
Pimaricin-linear-analogue-syntheticTypePolyketide
Macrolide
Other_NameCompound 7
FormulaC33H53NO7S
MW607.84
PaperZhou_2022_ACS.Catal_12_762
CommentSynthetisc substrate used for hydrolysis and cyclization catalyzed by Pim TE. Chemical derivation of the full-length linear pimaricin polyketide chain 5d by N-acetylcysteamine (SNAC).
Gene_locus9actn-f1cla7
FamilyThioesterase
InChIKeyJGDODCPBILBSII-JZJIDULISA-N
CanonicalSMILESC(C=CC=CC=CC=CC(C[C@H]1C(C(C[C@](CC(CC=CC(CC(SCCNC(C)=O)=C)O)O)(O)O1)O)C)O)C(C)C
InChIInChI=1S/C33H53NO7S/c1-24(2)14-11-9-7-6-8-10-12-15-29(37)21-32-26(4)31(39)23-33(40,41-32)22-30(38)17-13-16-28(36)20-25(3)42-19-18-34-27(5)35/h6-13,15-16,24,26,28-32,36-40H,3,14,17-23H2,1-2,4-5H3,(H,34,35)/b7-6+,10-8+,11-9+,15-12+,16-13+/t26?,28?,29?,30?,31?,32-,33+/m0/s1

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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