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

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

Product number: 19-1604
CAS number: 146622-45-9
Synonyms: Phytanoyl-CoA, Phytanic acid coenzyme A ester

Identifiers

CAS Index Name: Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
Molecular formula: C41H74N7O17P3S
Molecular weight: 1062.05
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
Isomeric Smiles: OC1C(N2C=3C(N=C2)=C(N)N=CN3)OC(COP(OP(OCC(C(C(NCCC(NCCSC(CC(CCCC(CCCC(CCCC(C)C)C)C)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)C1OP(=O)(O)O
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)
InChIKey: InChIKey=NRJQGHHZMSOUEN-UHFFFAOYSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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