Coenzyme A, S-(hydrogen heptanedioate)

CAS Registry Number®

18907-20-5

CAS Name

Coenzyme A, S-(hydrogen heptanedioate)

Molecular Formula

C28H46N7O19P3S

Molecular Mass

909.69

Cite this Page

Coenzyme A, S-(hydrogen heptanedioate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18907-20-5 (retrieved 2024-11-22) (CAS RN: 18907-20-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/m1/s1

InChIKey

InChIKey=LYCRXMTYUZDUGA-UYRKPTJQSA-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(CCCCCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=C(O)CCCCCC(=O)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

Other Names for this Substance

  • Coenzyme A, S-(hydrogen heptanedioate)
  • Coenzyme A, S-(hydrogen pimelate)
  • Coenzyme A, S-pimelate
  • Pimelyl coenzyme A
  • Pimelyl-CoA

View All

Deleted or Replaced CAS Registry Numbers

6543-70-0, 74648-15-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration