PFAS
全球PFAS筛查数据库
棕榈酰辅酶A,钾盐
Palmitoyl coenzyme A
Palmitoyl Coenzyme A, Palmityl coenzyme A, PALMITOYL COENZYME A,K SALT, coenzyme A palmitoyl derivative, PALMITOYL COENZYME A POTASSIUM SALT, PALMITOYL-COA, Coenzyme A S-hexadecanoate, Coenzyme A S-palmitate, S-palmitoylcoenzyme A, Palmityl-CoA
CAS号: 1763-10-6
IUPAC名称: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate
分子式: C37H66N7O17P3S
分子量: 1005.94
InChI: InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1
InChIKey: MNBKLUUYKPBKDU-BBECNAHFSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
EINECS: -
