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Palmitoyl-1-[13C] coenzyme A lithium salt

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General Information
Catalog: BLP-001141
Molecular Formula: C36[13C]H63Li3N7O17P3S
Molecular Weight: 1024.8

Chemical Structure

Description	Palmitoyl-1-[13C] coenzyme A lithium salt is a labelled analogue of Palmitoyl coenzyme A lithium salt.
IUPAC Name	trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-(1-13C)hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Related CAS	188174-64-3 (unlabelled)
Canonical SMILES	[Li+].[Li+].[Li+].CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O
InChI	InChI=1S/C37H66N7O17P3S.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;;;/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);;;/q;3*+1/p-3/t26-,30-,31-,32+,36-;;;/m1.../s1/i28+1;;;
InChI Key	UTEIZUAFRYSOHP-MFWXJNEISA-K
Purity	95% by CP; 99% atom 13C