2-Hydroxyoctadecanoyl-coenzyme A (ammonium salt)

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3084
Product Name	2-Hydroxyoctadecanoyl-coenzyme A (ammonium salt)
CAS	38861-93-7
Molecular Formula	C39H79N10O18P3S
Molecular Weight	1100.45

2-Hydroxyoctadecanoyl-coenzyme A (ammonium salt)

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Description	2-Hydroxyoctadecanoyl-coenzyme A is a coenzyme A derivative that contains a long chain fatty acid with a hydroxyl group attached at the second carbon. It is commonly used in the synthesis of various lipids in biological systems. The ammonium salt form of this compound is often used in research settings as a stable and water-soluble form of the molecule.
Synonyms	α-hydroxy stearoyl Coenzyme A (ammonium salt); alpha-hydroxy octadecanoyl Coenzyme A (ammonium salt); 18:0(α-OH) 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] (2S)-2-hydroxyoctadecanethioate
Canonical SMILES	CCCCCCCCCCCCCCCCC(C(=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)O
InChI	InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(47)38(52)68-22-21-41-29(48)19-20-42-36(51)33(50)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-32(63-65(53,54)55)31(49)37(62-28)46-26-45-30-34(40)43-25-44-35(30)46/h25-28,31-33,37,47,49-50H,4-24H2,1-3H3,(H,41,48)(H,42,51)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t27-,28+,31+,32+,33-,37+/m0/s1
InChIKey	OJQMIXCIJFLULT-LPSUQUFLSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1101.087
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 42.54%, H 7.23%, N 12.72%, O 26.15%, P 8.44%, S 2.91%

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