Product Name：
3-oxo-24-ethyl-cholest-4,24-dien-26-oyl-CoA
Other Names： 3-oxo-24-ethyl-cholest-4,24-dien-26-oyl-CoA
Other Names： 3-oxo-24-ethyl-cholest-4,24-dien-26-oyl-CoA
Structural Information
| Molecular Formula | C50H74N7O18P3S-4 | Molecular Weight | 1186.1 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-ethyl-2-methylhept-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | ARNXOEVEQJXSEK-VVAMWYHRSA-J | ||||
| InChI | InChI=1S/C50H78N7O18P3S/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/h23,26-28,33-37,40-42,46,60-61H,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/b30-29+/t28-,33+,34-,35+,36+,37-,40-,41-,42+,46-,49+,50-/m1/s1 | ||||
| SMILES | CCC(=C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)CCC(C)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C | ||||
