3-oxo-24-ethyl-cholest-4-en-26-oyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM10082 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C50H76N7O18P3S charge -4 mass 1187.42023 reference metacycM:CPD-13802 InChIKey LDVSFTBZUODKCJ-CVTGAYNHSA-J InChI InChI=1S/C50H80N7O18P3S/c1-8-30(10-9-28(2)34-13-14-35-33-12-11-31-23-32(58)15-18-49(31,6)36(33)16-19-50(34,35)7)29(3)47(63)79-22-21-52-38(59)17-20-53-45(62)42(61)48(4,5)25-72-78(69,70)75-77(67,68)71-24-37-41(74-76(64,65)66)40(60)46(73-37)57-27-56-39-43(51)54-26-55-44(39)57/h23,26-30,33-37,40-42,46,60-61H,8-22,24-25H2,1-7H3,(H,52,59)(H,53,62)(H,67,68)(H,69,70)(H2,51,54,55)(H2,64,65,66)/p-4/t28-,29?,30-,33+,34-,35+,36+,37-,40-,41-,42+,46-,49+,50-/m1/s1 SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C(=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