3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM9981 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C34H50N7O20P3S charge -4 mass 1001.20661 reference metacycM:CPD-13757 InChIKey GXYIOJONRQGUCV-SWBALSFASA-J InChI InChI=1S/C34H54N7O20P3S/c1-33(2,28(48)31(49)37-9-7-22(45)36-10-11-65-23(46)12-19(43)24-17-4-5-21(44)34(17,3)8-6-18(24)42)14-58-64(55,56)61-63(53,54)57-13-20-27(60-62(50,51)52)26(47)32(59-20)41-16-40-25-29(35)38-15-39-30(25)41/h15-20,24,26-28,32,42-43,47-48H,4-14H2,1-3H3,(H,36,45)(H,37,49)(H,53,54)(H,55,56)(H2,35,38,39)(H2,50,51,52)/p-4/t17-,18+,19?,20+,24-,26+,27+,28-,32+,34-/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)CC(O)[C@H]1[C@@H]2CCC(=O)[C@@]2(C)CC[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph