4ME 16:0 Coenzyme A

• Catalog Number: ACM146622459-1
• Product Name: 4ME 16:0 Coenzyme A
• CAS: 146622-45-9
• Category: Others
• Synonyms: Phytanoyl Coenzyme A (ammonium salt); 1-(3,7,11,15-Tetramethylhexadecanoyl) Coenzyme A
• IUPAC Name: S-[2-[3-[[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] (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate
• Molecular Weight: 1112.49
• Molecular Formula: C41H83N10O17P3S
• Canonical SMILES: C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
• InChI: NRJQGHHZMSOUEN-IYJVDCLDSA-N
• InChI Key: InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29+,30-,34-,35-,36?,40-/m1/s1
• Purity: >99%
• Appearance: Powder
• Exact Mass: 1113.141
• Hygroscopic: No
• Light Sensitive: No
• Percent Composition: C 44.24%, H 7.52%, N 12.58%, O 24.43%, P 8.35%, S 2.88%
• Stability: 1 Year
• Storage Temperature: -20 °C