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Substance Name: Lignoceroyl-coenzyme A
RN: 24305-30-4
InChIKey: MOYMQYZWIUKGGY-JBKAVQFISA-N

Molecular Formula

  • C45-H82-N7-O17-P3-S

Molecular Weight

  • 1118.1628
 
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Names and Synonyms

Name of Substance

  • Lignoceroyl-coenzyme A

Synonyms

  • Coenzyme A, lignoceroyl-
  • Lignoceroyl-coa

Systematic Name

  • Coenzyme A, S-tetracosanoate

Registry Numbers

CAS Registry Number

  • 24305-30-4

System Generated Number

  • 0024305304

Structure Descriptors

InChI

1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40+,44-/m1/s1

InChIKey

MOYMQYZWIUKGGY-JBKAVQFISA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O