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Substance Name: S-Acetyl-3-mercaptopropanoyl-coenzyme A
RN: 97919-43-2
InChIKey: TYVMQOGIOUYOGO-UHFFFAOYSA-N

Note

  • Metabolite of 3-mercaptopropanoic acid.

Molecular Weight

  • 897.703
 
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Names and Synonyms

Name of Substance

  • S-Acetyl-3-mercaptopropanoyl-coenzyme A

Synonyms

  • Coenzyme A, S-acetyl-3-mercaptopropanoyl-
  • S-Acetyl-3-mercaptopropanoyl-coa

Registry Numbers

CAS Registry Number

  • 97919-43-2

System Generated Number

  • 0097919432

Structure Descriptors

InChI

1S/C26H42N7O18P3S2/c1-14(34)55-8-5-17(36)56-9-7-28-16(35)4-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)

InChIKey

TYVMQOGIOUYOGO-UHFFFAOYSA-N

Smiles

O([P@@](O[P@@](=O)(OC[C@@H]1[C@@H](OP(O)(=O)O)[C@@H](O)[C@@H](n2cnc3c(ncnc23)N)O1)O)(=O)O)CC(C)(C)[C@@H](O)C(NCCC(NCCSC(=O)CCSC(=O)C)=O)=O