18:1 (n9) Coenzyme A (ammonium salt)

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3064
Product Name	18:1 (n9) Coenzyme A (ammonium salt)
CAS	799812-89-8
Molecular Formula	C39H77N10O17P3S
Molecular Weight	1083.07

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Product Information

Description	Coenzyme A (ammonium salt) 18:1 (n9) is a vital component utilized within the biomedicine sector to investigate and address metabolic disorders, specifically fatty acid oxidation issues. Its role as a crucial cofactor for enzymes engaged in fatty acid metabolism is indispensable for the generation of cellular energy and regulation of lipid metabolism.
Synonyms	(9Z-octadecenoyl) Coenzyme A (ammonium salt); (9Z-octadecenoyl) 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-9-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=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;;;/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54);3*1H3/b12-11-;;;/t28-,32?,33+,34+,38-;;;/m1.../s1
InChIKey	NKHKRXKEDWPIOC-UQNGRMJFSA-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%

References

1. Nam JW, Jenkins LM, Li J, Evans B, Jaworski JG, Allen DK. A General Method for Quantification and Discovery of Acyl Groups Attached to Acyl Carrier Proteins in Fatty Acid Metabolism using LC-MS/MS. Plant Cell. 2020 Feb 14:tpc.00954.2019. doi: 10.1105/tpc.19.00954. Epub ahead of print. PMID: 32060179. PubMed ID: 32060179.
2. Sampath H, Ntambi JM. Role of stearoyl-CoA desaturase-1 in skin integrity and whole body energy balance. J Biol Chem. 2014 Jan 31;289(5):2482-8. doi: 10.1074/jbc.R113.516716. Epub 2013 Dec 19. PMID: 24356954; PMCID: PMC3908384. PubMed ID: 24356954.

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