Palmitoyl CoA

CAS Registry Number®

1763-10-6

CAS Name

Palmitoyl CoA

Molecular Formula

C37H66N7O17P3S

Molecular Mass

1005.94

Cite this Page

Palmitoyl CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1763-10-6 (retrieved 2024-11-22) (CAS RN: 1763-10-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1

InChIKey

InChIKey=MNBKLUUYKPBKDU-BBECNAHFSA-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(CCCCCCCCCCCCCCC)=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)CCCCCCCCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-hexadecanoate
  • Coenzyme A, S-palmitate
  • Coenzyme A, palmitate
  • Palmitoyl coenzyme A
  • Palmityl coenzyme A

View All

Deleted or Replaced CAS Registry Numbers

917-46-4, 79251-01-7, 739357-52-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration