3-thiaoctanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM101884 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C28H48N7O17P3S2 charge 0 mass 911.17609 reference chebi:41611 InChIKey JMFXDZKFFYUOAN-SVHODSNWSA-N InChI InChI=1S/C28H48N7O17P3S2/c1-4-5-6-10-56-13-19(37)57-11-9-30-18(36)7-8-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1 SMILES CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

Parent-child relations graph

Deprecated MNXref IDs graph