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Substance Name: 3-Indoleacryloyl-coenzyme A
RN: 144319-98-2
InChIKey: LQFMEOXXQRDBPP-BTOWARJYSA-N

Note

  • A chromophoric substrate analog for medium-chain fatty acyl-CoA dehydrogenase.

Molecular Formula

  • C32-H43-N8-O17-P3-S

Molecular Weight

  • 936.7187
 
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Names and Synonyms

Name of Substance

  • 3-Indoleacryloyl-coenzyme A

Synonyms

  • 3-Indoleacryloyl-coa
  • Coenzyme A, 3-indoleacryloyl
  • IACoA
  • trans-3-Indoleacryloyl-coenzyme A

Systematic Name

  • Coenzyme A, 3-(3-(1H-indol-3-yl)-2-propenoate), (E)-

Registry Numbers

CAS Registry Number

  • 144319-98-2

System Generated Number

  • 0144319982

Structure Descriptors

InChI

1S/C32H43N8O17P3S/c1-32(2,27(44)30(45)35-10-9-22(41)34-11-12-61-23(42)8-7-18-13-36-20-6-4-3-5-19(18)20)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)40-17-39-24-28(33)37-16-38-29(24)40/h3-8,13,16-17,21,25-27,31,36,43-44H,9-12,14-15H2,1-2H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/b8-7+/t21-,25-,26-,27+,31-/m1/s1

InChIKey

LQFMEOXXQRDBPP-BTOWARJYSA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4c[nH]c5c4cccc5)O