Coenzyme A, S-(2E)-2-tetradecenoate

CAS Registry Number®

38795-33-4

CAS Name

Coenzyme A, S-(2E)-2-tetradecenoate

Molecular Formula

C35H60N7O17P3S

Molecular Mass

975.87

Cite this Page

Coenzyme A, S-(2E)-2-tetradecenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38795-33-4 (retrieved 2024-11-22) (CAS RN: 38795-33-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30+,34-/m1/s1

InChIKey

InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-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/CCCCCCCCCCC)=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=CCCCCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-(2E)-2-tetradecenoate
  • trans-Δ2,3-Tetradecenoyl-CoA
  • trans-2-Tetradecenoylcoenzyme A
  • Tetradec-2-trans-enoyl-CoA

CAS INSIGHTSTM
Targeted protein degrader structure, illustration