4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM10154 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C30H46N8O18P3S charge -3 mass 931.18801 reference metacycM:CPD-9772 InChIKey MHXHMDGJUQYJOC-YBHYYHSUSA-K InChI InChI=1S/C30H49N8O18P3S/c1-30(2,25(43)28(44)33-7-6-20(40)32-8-10-60-21(41)12-18(39)11-17-5-4-9-37(17)3)14-53-59(50,51)56-58(48,49)52-13-19-24(55-57(45,46)47)23(42)29(54-19)38-16-36-22-26(31)34-15-35-27(22)38/h15-17,19,23-25,29,42-43H,4-14H2,1-3H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-3/t17?,19-,23-,24-,25+,29-/m1/s1 SMILES C[NH+]1CCCC1CC(=O)CC(=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