PALMITOYL-13C16 COENZYME A LITHIUM SALT

Basic Information
Product Name：	PALMITOYL-13C16 COENZYME A LITHIUM SALT
English Synonyms：	PALMITOYL-13C16 COENZYME A LITHIUM SALT
MDL Number.：	MFCD09836269
H bond acceptor：	24
H bond donor：	6
Smile：	[Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS[13C](=O)[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]/[13CH2][13CH2][13CH3])O
InChi：	InChI=1S/C37H64N7O17P3S.3Li/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;;;/h6-7,24-26,30-32,36,47-48H,4-5,8-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);;;/q;3*+1/p-3/b7-6+;;;/t26-,30-,31-,32?,36-;;;/m1.../s1/i1+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,28+1;;;
InChiKey：	InChIKey=VQEIWMIOOWRQAT-VBRQFLHZSA-K
Property
Comments：	OTHER NOTES: MOLECULAR WEIGHT AND EMPIRICAL FORMULA BASED ON FREE ACID WGK: 3
Information：	ISOTOPIC PURITY: 99 ATOM% 13C MW: 1021.83 BY ATOM% CALCULATION (AS FREE ACID)
Safety information

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