Product Name：
3beta-hydroxy-chol-5,21-diene-24-oyl-CoA
Other Names： CHEBI:86017；3beta-hydroxychola-5,20(22)-dien-24-oyl-CoA(4-)；3beta-hydroxy-chol-5,21-diene-24-oyl-CoA；3beta-hydroxychola-5,20(22)-dien-24-oyl-coenzyme A(4-)
Other Names： CHEBI:86017；3beta-hydroxychola-5,20(22)-dien-24-oyl-CoA(4-)；3beta-hydroxy-chol-5,21-diene-24-oyl-CoA；3beta-hydroxychola-5,20(22)-dien-24-oyl-coenzyme A(4-)
Structural Information
| Molecular Formula | C45H66N7O18P3S-4 | Molecular Weight | 1118 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(Z)-4-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-3-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | ZTEBZYXUIBDLIU-BVFKSOTMSA-J | ||||
| InChI | InChI=1S/C45H70N7O18P3S/c1-25(29-9-10-30-28-8-7-26-20-27(53)12-15-44(26,4)31(28)13-16-45(29,30)5)6-11-34(55)74-19-18-47-33(54)14-17-48-41(58)38(57)43(2,3)22-67-73(64,65)70-72(62,63)66-21-32-37(69-71(59,60)61)36(56)42(68-32)52-24-51-35-39(46)49-23-50-40(35)52/h6-7,23-24,27-32,36-38,42,53,56-57H,8-22H2,1-5H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b25-6-/t27-,28-,29+,30-,31-,32+,36+,37+,38-,42+,44-,45+/m0/s1 | ||||
| SMILES | CC(=CCC(=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)C4CCC5C4(CCC6C5CC=C7C6(CCC(C7)O)C)C | ||||
