Product Name：
PDCoA
Other Names： Coenzyme A,S-1-pyrenedodecanoate
CAS：93255-33-5
Other Names： Coenzyme A,S-1-pyrenedodecanoate
CAS：93255-33-5
Structural Information
| Molecular Formula | C49H66N7O17P3S | Molecular Weight | 1150.07 | ||
| 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] 12-pyren-1-yldodecanethioate | ||||
| InChIKey | BPNVONKYJJXBQT-UHFFFAOYSA-N | ||||
| InChI | InChI=1S/C49H66N7O17P3S/c1-49(2,28-70-76(67,68)73-75(65,66)69-27-36-43(72-74(62,63)64)42(59)48(71-36)56-30-55-41-45(50)53-29-54-46(41)56)44(60)47(61)52-24-23-37(57)51-25-26-77-38(58)16-11-9-7-5-3-4-6-8-10-13-31-17-18-34-20-19-32-14-12-15-33-21-22-35(31)40(34)39(32)33/h12,14-15,17-22,29-30,36,42-44,48,59-60H,3-11,13,16,23-28H2,1-2H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64) | ||||
| 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)CCCCCCCCCCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O | ||||
