Acryloyl-CoA

CAS Registry Number®

5776-58-9
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CAS Name

Acryloyl-CoA

Molecular Formula

C24H38N7O17P3S

Molecular Mass

821.58

Cite this Page

Acryloyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5776-58-9 (retrieved 2024-08-04) (CAS RN: 5776-58-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1

InChIKey

InChIKey=POODSGUMUCVRTR-IEXPHMLFSA-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(C=C)=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)C=C

Other Names for this Substance

  • Coenzyme A, S-2-propenoate
  • Coenzyme A, S-acrylate
  • Acrylyl coenzyme A
  • Thioacrylic acid S-ester with coenzyme A
  • Acryloyl coenzyme A

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Deleted or Replaced CAS Registry Numbers

96837-31-9