Lauroyl-CoA

CAS Registry Number®

6244-92-4

CAS Name

Lauroyl-CoA

Molecular Formula

C33H58N7O17P3S

Molecular Mass

949.84

Cite this Page

Lauroyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6244-92-4 (retrieved 2024-11-22) (CAS RN: 6244-92-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1

InChIKey

InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-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(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)CCCCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-dodecanoate
  • Coenzyme A, S-laurate
  • Dodecanethioic acid, S-ester with coenzyme A
  • Lauroyl coenzyme A
  • Lauryl-CoA

View All

Deleted or Replaced CAS Registry Numbers

14214-87-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration