Product Name： CoA,lithiumsalt
Other Names： 辅酶A锂盐；Coenzyme A, lithium salt
CAS：69412-18-6
Other Names： 辅酶A锂盐；Coenzyme A, lithium salt
CAS：69412-18-6
Structural Information
| Molecular Formula | C21H35LIN7O16P3S | Molecular Weight | 773.47 | ||
| IUPAC Name | lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate | ||||
| InChIKey | OKABHXAKWAJPTJ-BLPRJPCASA-M | ||||
| InChI | InChI=1S/C21H36N7O16P3S.Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);/q;+1/p-1/t11-,14-,15-,16+,20-;/m1./s1 | ||||
| SMILES | [Li+].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)NCCS)O | ||||
