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Substance Name: Tropoyl-coenzyme A
RN: 74717-87-6
InChIKey: MALGIDLHCBJJKW-UHFFFAOYSA-N

Molecular Weight

  • 915.697
 
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Names and Synonyms

Name of Substance

  • Tropoyl-coenzyme A

Synonyms

  • Coenzyme A, tropoyl-
  • Tropoyl-coa

Systematic Name

  • Coenzyme A, S-(alpha-(hydroxymethyl)benzeneacetate)

Registry Numbers

CAS Registry Number

  • 74717-87-6

System Generated Number

  • 0074717876

Structure Descriptors

InChI

1S/C30H44N7O18P3S/c1-30(2,24(41)27(42)33-9-8-20(39)32-10-11-59-29(43)18(12-38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)37-16-36-21-25(31)34-15-35-26(21)37/h3-7,15-16,18-19,22-24,28,38,40-41H,8-14H2,1-2H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)

InChIKey

MALGIDLHCBJJKW-UHFFFAOYSA-N

Smiles

c1(ccccc1)[C@@H](C(=O)SCCNC(CCNC([C@@H](C(CO[P@@](O[P@@](=O)(O)OC[C@@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@@H]([C@@H]1OP(O)(=O)O)O)(=O)O)(C)C)O)=O)=O)CO