Coenzyme A, S-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

CAS Registry Number®

162336-15-4

CAS Name

Coenzyme A, S-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

Molecular Formula

C43H68N7O17P3S

Molecular Mass

1080.02

Cite this Page

Coenzyme A, S-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=162336-15-4 (retrieved 2024-11-22) (CAS RN: 162336-15-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1

InChIKey

InChIKey=NDRVWKXEWNMEEO-HVGANWHPSA-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(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=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)CCCCCC=CCC=CCC=CCC=CCC=CCC

Other Names for this Substance

  • Coenzyme A, S-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate
  • Coenzyme A, S-7,10,13,16,19-docosapentaenoate, (all-Z)-
  • Clupanodonyl-CoA

Deleted or Replaced CAS Registry Numbers

58346-00-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration