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Substance Name: 4-Bromo-2,3-dioxobutyl-coenzyme A
RN: 66686-64-4
InChIKey: WNHMHBZUJFQDPI-UHFFFAOYSA-N

Molecular Weight

  • 930.506
 
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Names and Synonyms

Name of Substance

  • 4-Bromo-2,3-dioxobutyl-coenzyme A

Synonym

  • S-(4-Bromo-2,3-dioxobutyl)-coa

Systematic Name

  • Coenzyme A, S-(4-bromo-2,3-dioxobutyl)-

Registry Numbers

CAS Registry Number

  • 66686-64-4

System Generated Number

  • 0066686644

Structure Descriptors

InChI

1S/C25H39BrN7O18P3S/c1-25(2,20(38)23(39)29-4-3-16(36)28-5-6-55-9-14(35)13(34)7-26)10-48-54(45,46)51-53(43,44)47-8-15-19(50-52(40,41)42)18(37)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,15,18-20,24,37-38H,3-10H2,1-2H3,(H,28,36)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)

InChIKey

WNHMHBZUJFQDPI-UHFFFAOYSA-N

Smiles

OP(O[C@@H]1[C@@H](O[C@@H](n2c3ncnc(N)c3nc2)[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OCC(C)(C)[C@@H](C(NCCC(NCCSCC(C(CBr)=O)=O)=O)=O)O)(O)=O