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18:1(n7) Coenzyme A (ammonium salt)

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3092
Product Name	18:1(n7) Coenzyme A (ammonium salt)
CAS	852060-66-3
Molecular Formula	C39H77N10O17P3S
Molecular Weight	1083.07

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Description	18:1(n7) Coenzyme A is a long-chain acyl-CoA ester. Long-chain acyl-CoA esters play an important role in a plethora of cellular functions. These lipids are involved in regulation of fatty acid synthesis, enzyme systems, vesicle trafficking, ion channels and ion pumps.
Synonyms	(11Z-octadecenoyl) Coenzyme A (ammonium salt); vaccenoyl 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-[[3-[2-[(Z)-octadec-11-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCC=CCCCCCCCCCC(=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/C39H68N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46;;;/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54);3*1H3/b10-9-;;;/t28-,32?,33+,34+,38-;;;/m1.../s1
InChIKey	RHSWTCMGLCWEKJ-NOITWIKBSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1083.072
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 43.25%, H 7.17%, N 12.93%, O 25.11%, P 8.58%, S 2.96%

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