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Substance Name: 3-Hydroxyhexadecanoyl-coenzyme A
RN: 35106-50-4
InChIKey: DEHLMTDDPWDRDR-QTFKDKGUSA-N

Molecular Formula

  • C37-H66-N7-O18-P3-S

Molecular Weight

  • 1021.9474
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxyhexadecanoyl-coenzyme A

Synonyms

  • 3-Hydroxyhexadecanoyl-coa
  • beta-Hydroxypalmitoyl-coa
  • Coenzyme A, 3-hydroxypalmitoyl-

Systematic Name

  • Coenzyme A, S-(3-hydroxyhexadecanoate)

Registry Numbers

CAS Registry Number

  • 35106-50-4

System Generated Number

  • 0035106504

Structure Descriptors

InChI

1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25?,26-,30-,31-,32+,36-/m1/s1

InChIKey

DEHLMTDDPWDRDR-QTFKDKGUSA-N

Smiles

CCCCCCCCCCCCCC(CC(=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)O