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Substance Name: Desulfo-coenzyme A
RN: 5863-40-1
InChIKey: ILWZMFJBPIYQKW-IBOSZNHHSA-N

Molecular Weight

  • 735.47
 
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Names and Synonyms

Name of Substance

  • Desulfo-coenzyme A

Synonyms

  • Coenzyme A, desulfo
  • Desulfo-coa

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), 5'-mono(4-((3-(ethylamino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-3-oxobutyl) ester, (R)-

Registry Numbers

CAS Registry Number

  • 5863-40-1

System Generated Number

  • 0005863401

Structure Descriptors

InChI

1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

InChIKey

ILWZMFJBPIYQKW-IBOSZNHHSA-N

Smiles

OP(=O)(O[C@@H]1[C@H](O[C@H]([C@@H]1O)n1cnc2c1ncnc2N)CO[P@@](=O)(O)O[P@@](OCC(C)(C)[C@H](C(NCCC(NCC)=O)=O)O)(=O)O)O