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Substance Name: Cinnamoyl-coenzyme A
RN: 76109-04-1
InChIKey: JVNVHNHITFVWIX-KZKUDURGSA-N

Molecular Weight

  • 897.682
 
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Names and Synonyms

Name of Substance

  • Cinnamoyl-coenzyme A

Synonyms

  • Cinnamoyl-coa
  • Coenzyme A, cinnamoyl-

Systematic Name

  • Coenzyme A, S-(3-phenyl-2-propenoate), (E)-

Registry Numbers

CAS Registry Number

  • 76109-04-1

System Generated Number

  • 0076109041

Structure Descriptors

InChI

1S/C30H42N7O17P3S/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/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25+,29-/m1/s1

InChIKey

JVNVHNHITFVWIX-KZKUDURGSA-N

Smiles

C(SCCNC(CCNC([C@@H](C(CO[P@@](O[P@@](OC[C@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@@H](O)[C@@H]1OP(=O)(O)O)(=O)O)(=O)O)(C)C)O)=O)=O)(\C=C\c1ccccc1)=O