Coenzyme A, trilithium salt

Base Information

• Chemical Name: Coenzyme A, trilithium salt
• CAS No.: 18439-24-2
• Molecular Formula: C₂₁H₃₅N₇O₁₆P₃S*Li
• Molecular Weight: 773.474
• Hs Code.: 29349990
• European Community (EC) Number: 242-317-9
• Mol file: 18439-24-2.mol

Synonyms:Coenzyme A trilithium salt;Coenzyme A, trilithium salt;18439-24-2;EINECS 242-317-9;MFCD00075848

Chemical Property of Coenzyme A, trilithium salt

Chemical Property:

• PSA: 423.28000
• LogP: 1.01230
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly, Sonicated), Water (Slightly)
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 18
• Exact Mass: 785.1397455
• Heavy Atom Count: 51
• Complexity: 1250

Purity/Quality:

98%,99%, ^*data from raw suppliers

Coenzyme A, Lithium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O
• Isomeric SMILES: [Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)NCCS)O
• Uses: 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 formyltetrahydrofol ate dehydrogenase Coenzyme A trilithium salt has been used: in standard curve generation in the kinetic assay of acetyltransferase Gcn5 acylationas a cofactor in JNADH and JNADPH production assay in the labeling of Alexa647 (AF647) probe