Coenzyme A, S-(5Z,8Z)-5,8-tetradecadienoate

CAS Registry Number®

68134-76-9

CAS Name

Coenzyme A, S-(5Z,8Z)-5,8-tetradecadienoate

Molecular Formula

C35H58N7O17P3S

Molecular Mass

973.86

Cite this Page

Coenzyme A, S-(5Z,8Z)-5,8-tetradecadienoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68134-76-9 (retrieved 2024-11-24) (CAS RN: 68134-76-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H58N7O17P3S/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/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b9-8-,12-11-/t24-,28-,29-,30+,34-/m1/s1

InChIKey

InChIKey=MJBZUCVXTFUVFY-PHQNXBNMSA-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(CCC/C=C\C/C=C\CCCCC)=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)CCCC=CCC=CCCCCC

Other Names for this Substance

  • Coenzyme A, S-(5Z,8Z)-5,8-tetradecadienoate
  • Coenzyme A, S-5,8-tetradecadienoate, (Z,Z)-
  • S-(5Z,8Z)-Tetradecadienoyl-CoA

Deleted or Replaced CAS Registry Numbers

202601-54-5, 1296855-94-1

CAS INSIGHTSTM
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