CAS: 146622-45-9 - [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(3S,7S,11R)-3,7,11,15-tetramethylhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic

Formula: C₄₁H₇₄N₇O₁₇P₃S

InChI: 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)

InChI key: InChIKey=NRJQGHHZMSOUEN-UHFFFAOYSA-N

SMILES: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

Synonyms:

• Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
• Phytanic acid coenzyme A ester
• Phytanoyl-CoA
• S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate (non-preferred name)
• [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(3S,7S,11R)-3,7,11,15-tetramethylhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

3,7,11,15-Tetramethylhexadecanoyl Coenzyme A (NH4)3 salt

CAS: 146622-45-9

• Formula: C41H74N7O17P3S
• Purity: >95%
• Color and Shape: Solid
• Molecular weight: 1062.05

Coenzyme A S-​(3,​7,​11,​15-​tetramethylhexadecan​oate)

CAS: 146622-45-9

Coenzyme A S-​(3,​7,​11,​15-​tetramethylhexadecan​oate) is a fatty acid with a hydroxyl group. It can be synthesized …

• Formula: C₄₁H₇₄N₇O₁₇P₃S
• Purity: Min. 95%
• Molecular weight: 1,062.1 g/mol