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Substance Name: Lauroyl-coenzyme A
RN: 6244-92-4
InChIKey: YMCXGHLSVALICC-GMHMEAMDSA-N

Molecular Formula

  • C33-H58-N7-O17-P3-S

Molecular Weight

  • 949.841
 
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Names and Synonyms

Name of Substance

  • Lauroyl-coenzyme A

Synonyms

  • Coenzyme A, lauroyl-
  • Dodecanoyl-coa
  • Lauroyl-coa

Systematic Name

  • Coenzyme A, S-dodecanoate

Registry Numbers

CAS Registry Number

  • 6244-92-4

System Generated Number

  • 0006244924

Structure Descriptors

InChI

InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1

InChIKey

YMCXGHLSVALICC-GMHMEAMDSA-N

Smiles

CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23