24:1 Coenzyme A (ammonium salt)

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3090
Product Name	24:1 Coenzyme A (ammonium salt)
CAS	800376-90-3
Molecular Formula	C45H89N10O17P3S
Molecular Weight	1167.23

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Description	24:1 Coenzyme A is a coenzyme derivative of nervonic acid or cis-15-tetracosenoic acid.
Synonyms	(15Z-tetracosenoyl) 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-[(Z)-tetracos-15-enoyl]sulfanylethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCC=CCCCCCCCCCCCCCC(=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/C45H80N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52;;;/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60);3*1H3/b12-11-;;;/t34-,38?,39+,40+,44-;;;/m1.../s1
InChIKey	UAIPAWBQHXNXER-PSWOAFEESA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1167.231
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 46.30%, H 7.69%, N 12.00%, O 23.30%, P 7.96%, S 2.75%

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