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Substance Name: Phenylpropionyl-coenzyme A
RN: 117411-09-3
InChIKey: HYSDRCZPYSOWME-FUEUKBNZSA-N

Note

  • Preferred substrate of dihydropinosylvin synthases.

Molecular Formula

  • C30-H44-N7-O17-P3-S

Molecular Weight

  • 899.6976
 
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Names and Synonyms

Name of Substance

  • Phenylpropionyl-coenzyme A

Synonyms

  • Coenzyme A, phenylpropionyl-
  • Phenylpropionyl-coa

Systematic Name

  • Coenzyme A, S-benzenepropanoate

Registry Numbers

CAS Registry Number

  • 117411-09-3

System Generated Number

  • 0117411093

Structure Descriptors

InChI

1S/C30H44N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-7,16-17,19,23-25,29,40-41H,8-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1

InChIKey

HYSDRCZPYSOWME-FUEUKBNZSA-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)CCc4ccccc4)O