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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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Product Information

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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