Product Name:
3-hydroxydecanoyl-CoA(4-)
Other Names: 3-hydroxydecanoyl-CoA(4-);3-hydroxy-decanoyl-CoA;3-hydroxycapryl-CoA(4-);3-hydroxycapryl-coenzyme A(4-);CHEBI:86041;3-hydroxydecanoyl-coenzyme A(4-);Q27158858
Other Names: 3-hydroxydecanoyl-CoA(4-);3-hydroxy-decanoyl-CoA;3-hydroxycapryl-CoA(4-);3-hydroxycapryl-coenzyme A(4-);CHEBI:86041;3-hydroxydecanoyl-coenzyme A(4-);Q27158858
Structural Information
Molecular Formula | C31H50N7O18P3S-4 | Molecular Weight | 933.8 | ||
IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-(3-hydroxydecanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
InChIKey | HIVSMYZAMUNFKZ-OUDFDEKCSA-J | ||||
InChI | InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19?,20-,24-,25-,26+,30-/m1/s1 | ||||
SMILES | CCCCCCCC(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 |