Coenzyme A

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3061
Product Name	Coenzyme A
CAS	85-61-0
Molecular Formula	C21H36N7O16P3S
Molecular Weight	767.53

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Description	Coenzyme A is an essential metabolic cofactor synthesized from cysteine, pantothenate, and ATP. Coenzyme A plays important roles in many metabolic pathways, including the tricarboxylic acid cycle, and the synthesis and oxidation of fatty acids. About 4% of cellular enzymes utilize CoA as a substrate.
Synonyms	CoASH; Coenzyme A (free acid); Depot-Zeel; Coenzyme ASH; 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
IUPAC Name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
Canonical SMILES	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
InChI	InChI=1S/C21H36N7O16P3S/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)/t11-,14-,15-,16+,20-/m1/s1
InChIKey	RGJOEKWQDUBAIZ-IBOSZNHHSA-N
Boiling Point	146 - 147
Melting Point	-5°C
Purity	>85%
Density	1.96±0.1 g/cm3 (Predicted)
Solubility	Soluble in Water
Appearance	White or Yellowish Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	767.534
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 32.86%, H 4.73%, N 12.77%, O 33.35%, P 12.11%, S 4.18

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