Product Name：
3-hydroxyoctanoyl-CoA(4-)
Other Names： 3-hydroxyoctanoyl-CoA(4-)；3-hydroxycapryloyl-CoA(4-)；CHEBI:86040；3-hydroxyoctanoyl-coenzyme A(4-)；3-hydroxycapryloyl-coenzyme A(4-)；Q27158857
Other Names： 3-hydroxyoctanoyl-CoA(4-)；3-hydroxycapryloyl-CoA(4-)；CHEBI:86040；3-hydroxyoctanoyl-coenzyme A(4-)；3-hydroxycapryloyl-coenzyme A(4-)；Q27158857
Structural Information
| Molecular Formula | C29H46N7O18P3S-4 | Molecular Weight | 905.7 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-(3-hydroxyoctanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | ATVGTMKWKDUCMS-UGRYODIPSA-J | ||||
| InChI | InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17?,18-,22-,23-,24+,28-/m1/s1 | ||||
| SMILES | CCCCCC(CC(=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)O | ||||
