Myristoyl-CoA

CAS Registry Number®

3130-72-1

CAS Name

Myristoyl-CoA

Molecular Formula

C35H62N7O17P3S

Molecular Mass

977.89

Cite this Page

Myristoyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3130-72-1 (retrieved 2024-11-22) (CAS RN: 3130-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H62N7O17P3S/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/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1

InChIKey

InChIKey=DUAFKXOFBZQTQE-QSGBVPJFSA-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(CCCCCCCCCCCCC)=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)CCCCCCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-tetradecanoate
  • Coenzyme A, S-myristate
  • Myristoyl coenzyme A
  • Myristyl coenzyme A
  • Tetradecanethioic acid, S-ester with coenzyme A

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Deleted or Replaced CAS Registry Numbers

14214-88-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration