Heptadecanoyl coenzyme A

Name: Heptadecanoyl coenzyme A
Brand: BOC Sciences
Rating: 5 (1 reviews)

CAS No.: 3546-17-6

Cat No.: BPG-3081

Purity: >99%

4.5

Heptadecanoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptadecanoic acid, It has a role as a metabolite. It is a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a heptadecanoic acid. It is a conjugate acid of a heptadecanoyl-CoA(4-).

Category	Acyl CoA - Unsaturated Fatty Acid
Molecular Formula	C38H68N7O17P3S
Molecular Weight	1019.98
Appearance	Powder
Storage	-20°C

Structure of 3546-17-6

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Specification
Application

Synonyms	Heptadecanoyl-CoA
IUPACName	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] heptadecanethioate
CanonicalSMILES	CCCCCCCCCCCCCCCCC(=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/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1
InChIKey	DRABUZIHHACUPI-DUPKZGIXSA-N
Purity	>99%
Density	1.53g/cm3
ShelfLife	1 Year
ExactMass	1071.061
Hygroscopic	No
LightSensitive	No
PercentComposition	C 42.61%, H 7.25%, N 13.08%, O 25.39%, P 8.68%, S 2.99%