Nonadecanoyl-CoA

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3068
Product Name	Nonadecanoyl-CoA
CAS	25045-61-8
Molecular Formula	C40H72N7O17P3S
Molecular Weight	1048.02

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Product Information

Description	Nonadecanoyl-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 pentadecanoic acid. It is a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It derives from a nonadecanoic acid. It is a conjugate acid of a nonadecanoyl-CoA(4-).
Synonyms	Nonadecanoyl coenzyme A
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] nonadecanethioate
Canonical SMILES	CCCCCCCCCCCCCCCCCCC(=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/C40H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(49)68-24-23-42-30(48)21-22-43-38(52)35(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-29-34(63-65(53,54)55)33(50)39(62-29)47-28-46-32-36(41)44-27-45-37(32)47/h27-29,33-35,39,50-51H,4-26H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t29-,33-,34-,35+,39-/m1/s1
InChIKey	YUJZGRUJMWKAJF-ZOUGCNRJSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1099.114
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 43.71%, H 7.43%, N 12.74%, O 24.75%, P 8.45%, S 2.92%

References

1. Topolska M, Martínez-Montañés F, Ejsing CS. A Simple and Direct Assay for Monitoring Fatty Acid Synthase Activity and Product-Specificity by High-Resolution Mass Spectrometry. Biomolecules. 2020 Jan 10;10(1):E118. doi: 10.3390/biom10010118. PMID: 31936797. PubMed ID: 31936797.

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