4-chloro-3-hydroxybutyryl-CoA

Properties Image Occurences in reactions MNX_ID MNXM10181 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0 formula C25H37ClN7O18P3S charge -4 mass 883.08391 reference metacycM:CPD-12679 InChIKey CWLUDLDKZXZJCX-VKBDFPRVSA-J InChI InChI=1S/C25H41ClN7O18P3S/c1-25(2,20(38)23(39)29-4-3-15(35)28-5-6-55-16(36)7-13(34)8-26)10-48-54(45,46)51-53(43,44)47-9-14-19(50-52(40,41)42)18(37)24(49-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,37-38H,3-10H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13-,14+,18+,19+,20-,24+/m0/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCl

Parent-child relations graph

Deprecated MNXref IDs graph