S-Propionylcoenzyme a

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3074
Product Name	S-Propionylcoenzyme a
CAS	317-66-8
Molecular Formula	C24H40N7O17P3S
Molecular Weight	889.087

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Description	Propionyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of propionic acid. It has a role as a metabolite, an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a coenzyme A and a propionic acid. It is a conjugate acid of a propionyl-CoA(4-).
Synonyms	propanoyl Coenzyme A (sodium salt)
IUPAC Name	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] propanethioate
Canonical SMILES	CCC(=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
InChI	InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1
InChIKey	QAQREVBBADEHPA-IEXPHMLFSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	-20°C
Exact Mass	889.543
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 32.41%, H 4.19%, N 11.02%, Na 7.75%, O 30.58%, P 10.45%, S 3.60

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