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Substance Name: beta-Ketohexadecanoyl-coenzyme A
RN: 34619-89-1
InChIKey: NQMPLXPCRJOSHL-BBECNAHFSA-N

Molecular Weight

  • 1019.93
 
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Names and Synonyms

Name of Substance

  • beta-Ketohexadecanoyl-coenzyme A

Synonyms

  • beta-Ketopalmitoyl-CoA
  • Coenzyme A, beta-ketohexadecanoyl-

Systematic Name

  • Coenzyme A, S-(3-oxohexadecanoate)

Registry Numbers

CAS Registry Number

  • 34619-89-1

System Generated Number

  • 0034619891

Structure Descriptors

InChI

1S/C37H64N7O18P3S/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/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32+,36-/m1/s1

InChIKey

NQMPLXPCRJOSHL-BBECNAHFSA-N

Smiles

OP(O[C@H]1[C@@H](O)[C@H](n2cnc3c(ncnc23)N)O[C@@H]1CO[P@@](O[P@@](O)(OCC(C)(C)[C@H](C(NCCC(NCCSC(=O)CC(=O)CCCCCCCCCCCCC)=O)=O)O)=O)(=O)O)(O)=O