Product Name：
S-(3-Oxobutyl)-CoA
Other Names： S-(3-氧丁基)-辅酶A;Coenzyme A,S-(3-oxobutyl)-；S-(3-oxobutyl)coenzyme A
CAS：81790-81-0
Other Names： S-(3-氧丁基)-辅酶A;Coenzyme A,S-(3-oxobutyl)-；S-(3-oxobutyl)coenzyme A
CAS：81790-81-0
Structural Information
| Molecular Formula | C25H42N7O17P3S | Molecular Weight | 837.62 | ||
| IUPAC Name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate | ||||
| InChIKey | CDRPUNPLIFNCAJ-DJVIHCHSSA-N | ||||
| InChI | InChI=1S/C25H42N7O17P3S/c1-14(33)5-8-53-9-7-27-16(34)4-6-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-15-19(48-50(38,39)40)18(35)24(47-15)32-13-31-17-21(26)29-12-30-22(17)32/h12-13,15,18-20,24,35-36H,4-11H2,1-3H3,(H,27,34)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t15-,18-,19-,20+,24-/m1/s1 | ||||
| SMILES | CC(=O)CCSCCNC(=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 | ||||
Literature
