Coenzyme A,S-(9Z)-9-octadecenoate monolithium salt
[CAS# 188824-37-5]

Identification

• Name: Coenzyme A,S-(9Z)-9-octadecenoate monolithium salt
• Synonyms: Adenosine, 5'-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z)-1-oxo-9-octadecen-1-yl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen p hosphate), lithium salt (1:4); CIS-9-OCTADECENOYLCOENZYMEALITHIUMSALT
• Molecular Formula: C₃₉H₆₄Li₄N₇O₁₇P₃S
• Molecular Weight: 1055.71
• CAS Registry Number: 188824-37-5
• SMILES: [Li+].[Li+].[Li+].[Li+].CCCCCCCC/C=C\CCCCCCCC(=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)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O
• InChI: 1S/C39H68N7O17P3S.4Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46;;;;/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54);;;;/q;4*+1/p-4/b12-11-;;;;/t28-,32-,33-,34+,38-;;;;/m1..../s1
• InChIKey: OITFSDVCTCHDHP-FGBQLYJKSA-J

Properties

• Refractive index: (Cal.)