23:0 Coenzyme A (ammonium salt)

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3082
Product Name	23:0 Coenzyme A (ammonium salt)
CAS	799812-97-8
Molecular Formula	C44H89N10O17P3S
Molecular Weight	1155.22

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Description	23:0 Coenzyme A is a coenzyme A derivative of tricosylic acid.
Synonyms	tricosanoyl Coenzyme A (ammonium salt)
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tricosanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCC(=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.[NH4+].[NH4+].[NH4+]
InChI	InChI=1S/C44H80N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51;;;/h31-33,37-39,43,54-55H,4-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59);3*1H3/t33-,37?,38+,39+,43-;;;/m1.../s1
InChIKey	VWUVJQXOYHTDCP-BHMMHRQOSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1155.221
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 45.75%, H 7.77%, N 12.12%, O 23.54%, P 8.04%, S 2.78%

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