Product Name：
3-oxochola-4,17-dien-22-oyl-CoA
Other Names： CHEBI:86020；20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA(4-)；3-oxochola-4,17-dien-22-oyl-CoA；3-keto-20-methylpregna-4,17-dien-21-oyl-CoA(4-)；20-methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A(4-)；3-keto-20-methylpregna-4,17-dien-21-oyl-coenzyme A(4-)
Other Names： CHEBI:86020；20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA(4-)；3-oxochola-4,17-dien-22-oyl-CoA；3-keto-20-methylpregna-4,17-dien-21-oyl-CoA(4-)；20-methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A(4-)；3-keto-20-methylpregna-4,17-dien-21-oyl-coenzyme A(4-)
Structural Information
| Molecular Formula | C43H60N7O18P3S-4 | Molecular Weight | 1088 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(2Z)-2-[(8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]propanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | UCGYLLKGKGOQIG-ZDAGCFGESA-J | ||||
| InChI | InChI=1S/C43H64N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-22,26,28-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b27-23-/t26-,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1 | ||||
| SMILES | CC(=C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)([O-])[O-])O | ||||
