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13:0 Coenzyme A ammonium salt

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3079
Product Name	13:0 Coenzyme A ammonium salt
CAS	1246304-38-0
Molecular Formula	C34H69N10O17P3S
Molecular Weight	1014.38

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Description	13:0 Coenzyme A ammonium salt is a potent tool utilized in scientific investigations pertaining to lipid metabolism and energy production. A pivotal derivative of Coenzyme A, it significantly impacts fatty acid metabolism, contributing to a deeper understanding of cellular mechanisms.
Synonyms	tridecanoyl Coenzyme A (ammonium 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] tridecanethioate;azane
Canonical SMILES	CCCCCCCCCCCCC(=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.N.N.N
InChI	InChI=1S/C34H60N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41;;;/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49);3*1H3/t23-,27-,28-,29+,33-;;;/m1.../s1
InChIKey	IXHJKWLEDAAKSH-BAXUYDTESA-N
Purity	>99%
Related CAS	56879-57-3 (free acid)
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1014.955
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 40.23%, H 6.85%, N 13.80%, O 26.80%, P 9.16%, S 3.16%

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