3-oxo-24-(isopropanoyl)-cholest-4,24-dien-26-oyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM10077 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C51H73N7O20P3S charge -5 mass 1228.38714 reference metacycM:CPD-13799 InChIKey FRZCQWAOKDDBQN-PPHSXUQISA-I InChI InChI=1S/C51H78N7O20P3S/c1-27(34-12-13-35-33-11-9-30-22-31(59)14-17-50(30,6)36(33)15-18-51(34,35)7)8-10-32(28(2)47(64)65)29(3)48(66)82-21-20-53-38(60)16-19-54-45(63)42(62)49(4,5)24-75-81(72,73)78-80(70,71)74-23-37-41(77-79(67,68)69)40(61)46(76-37)58-26-57-39-43(52)55-25-56-44(39)58/h22,25-28,33-37,40-42,46,61-62H,8-21,23-24H2,1-7H3,(H,53,60)(H,54,63)(H,64,65)(H,70,71)(H,72,73)(H2,52,55,56)(H2,67,68,69)/p-5/b32-29-/t27-,28?,33+,34-,35+,36+,37-,40-,41-,42+,46-,50+,51-/m1/s1 SMILES 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-])=C(\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)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph