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Malonyl-[13C3] coenzyme A lithium salt

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General Information
Catalog: BLP-001024
Molecular Formula: C21[13C]3H38LiN7O19P3S
Molecular Weight: 856.56 (free acid)

Chemical Structure

Description	Malonyl-[13C3] coenzyme A lithium salt is the isotope form of Malonyl coenzyme A lithium salt. Malonyl coenzyme A lithium salt, also known as Malonyl-CoA, is a coenzyme A derivative involved in fatty acid regulation and biosynthesis, and it is also used in transporting α-ketoglutarate across the mitochondrial membrane into the mitochondrial matrix.
IUPAC Name	lithium;3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]oxymethyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo(1,2,3-13C3)propanoate
Related CAS	108347-84-8 (unlabelled)
Canonical SMILES	[Li+].CC(C)(COP(=O)(O)OP(=O)(COC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)[O-])O
InChI	InChI=1S/C24H38N7O19P3S.Li/c1-24(2,18(37)21(38)27-4-3-12(32)26-5-6-54-14(35)7-13(33)34)8-47-53(44,45)50-51(39,40)11-46-23-17(49-52(41,42)43)16(36)22(48-23)31-10-30-15-19(25)28-9-29-20(15)31;/h9-10,16-18,22-23,36-37H,3-8,11H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,39,40)(H,44,45)(H2,25,28,29)(H2,41,42,43);/q;+1/p-1/t16-,17+,18+,22-,23+;/m1./s1/i7+1,13+1,14+1;
InChI Key	XZBFXZRVMJPNCZ-VLZOZIQLSA-M
Purity	95% by CP; 99% atom 13C
Appearance	Solid
Storage	Store at -20° C