Butyryl CoA

CAS Registry Number®

2140-48-9

CAS Name

Butyryl CoA

Molecular Formula

C25H42N7O17P3S

Molecular Mass

837.62

Cite this Page

Butyryl CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2140-48-9 (retrieved 2024-11-21) (CAS RN: 2140-48-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1

InChIKey

InChIKey=CRFNGMNYKDXRTN-CITAKDKDSA-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)=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)CCC

Other Names for this Substance

  • Coenzyme A, S-butanoate
  • Coenzyme A, S-butyrate
  • Butyryl coenzyme A
  • Butyryl CoA
  • Butanoyl coenzyme A

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Deleted or Replaced CAS Registry Numbers

3865-47-2, 26014-19-7, 104904-02-1, 1309454-18-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration