Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)

CAS Registry Number®

146622-45-9

CAS Name

Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)

Molecular Formula

C41H74N7O17P3S

Molecular Mass

1062.05

Cite this Page

Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146622-45-9 (retrieved 2024-11-22) (CAS RN: 146622-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

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

Canonical 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

Other Names for this Substance

  • Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
  • Phytanoyl-CoA
  • Phytanic acid coenzyme A ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration