Product Name：
5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA
Other Names： 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA；PubChem CID: 9543401; (Acyl-CoA); [M+H]+;
Other Names： 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA；PubChem CID: 9543401; (Acyl-CoA); [M+H]+;
Structural Information
| Molecular Formula | C26H38N7O18P3S2 | Molecular Weight | 893.7 | ||
| IUPAC Name | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-oxo-3H-thiophene-5-carbothioate | ||||
| InChIKey | QYDJDIIVXSRXNI-UHFFFAOYSA-N | ||||
| InChI | InChI=1S/C26H38N7O18P3S2/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-55-25(39)14-3-4-16(35)56-14)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(36)24(49-13)33-12-32-17-21(27)30-11-31-22(17)33/h3,11-13,18-20,24,36-37H,4-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42) | ||||
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CCC(=O)S4)O | ||||
