Methacryloyl-CoA

CAS Registry Number®

6008-91-9

CAS Name

Methacryloyl-CoA

Molecular Formula

C25H40N7O17P3S

Molecular Mass

835.61

Cite this Page

Methacryloyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6008-91-9 (retrieved 2024-11-22) (CAS RN: 6008-91-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1

InChIKey

InChIKey=NPALUEYCDZWBOV-NDZSKPAWSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(C(C)=C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=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)C(=C)C

Other Names for this Substance

  • Coenzyme A, S-(2-methyl-2-propenoate)
  • Coenzyme A, S-methacrylate
  • Methacrylyl coenzyme A
  • Methacryloyl-CoA
  • Methylacrylyl-CoA

CAS INSIGHTSTM
Targeted protein degrader structure, illustration