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Substance Name: 4-Acetamidobutyryl-coenzyme A
RN: 74833-91-3
InChIKey: UEKGDRAHBCQADD-HDRQGHTBSA-N

Molecular Weight

  • 894.679
 
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Names and Synonyms

Name of Substance

  • 4-Acetamidobutyryl-coenzyme A

Synonyms

  • 4-Aab-coa
  • 4-Acetamidobutyryl-coa
  • Coenzyme A, 4-acetamidobutyryl-

Systematic Name

  • Coenzyme A, S-(4-(acetylamino)butanoate)

Registry Numbers

CAS Registry Number

  • 74833-91-3

System Generated Number

  • 0074833913

Structure Descriptors

InChI

1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/t16-,20-,21-,22+,26-/m1/s1

InChIKey

UEKGDRAHBCQADD-HDRQGHTBSA-N

Smiles

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