Coenzyme A Trilithium Salt

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3062
Product Name	Coenzyme A Trilithium Salt
CAS	18439-24-2
Molecular Formula	C21H33Li3N7O16P3S
Molecular Weight	785.33

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Description	A cofactor in enzymatic acetyl transfer reactions. It is the source of the phosphopantetheine group that is added as a prosthetic group to proteins such as acyl carrier protein and formyltetrahydrofolate dehydrogenase.
Synonyms	CoA Trilithium Salt; Trilithium Coenzyme A
IUPAC Name	trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	[Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O
InChI	InChI=1S/C21H36N7O16P3S.3Li/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;3*+1/p-3/t11-,14-,15-,16?,20-;;;/m1.../s1
InChIKey	QSCBPHBAFBVXRK-HJKJOZROSA-K
Melting Point	>203°C (dec.)
Purity	95%
Solubility	Soluble in Water (Slightly), DMSO (Very Slightly)
Appearance	White to Off-White Solid
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	785.333
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 32.12%, H 4.24%, Li 2.65%, N 12.48%, O 32.60%, P 11.83%, S 4.08
Pictogram(s)	Irritant
Signal	Warning
Precautionary Statement Codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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