5,6,7,8-tetrahydro-2-naphthoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM148668 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C32H42N7O17P3S charge -4 mass 921.15927 reference metacycM:CPD-15897 InChIKey ZGSOBAQCOUWANJ-YGFBVEKBSA-J InChI InChI=1S/C32H46N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h7-8,13,16-17,21,24-26,30,41-42H,3-6,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t21-,24-,25-,26+,30-/m1/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)c1ccc2c(c1)CCCC2

Parent-child relations graph

Deprecated MNXref IDs graph