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Substance Name: Palmitoyl coenzyme A
RN: 1763-10-6
InChIKey: MNBKLUUYKPBKDU-TZIIWEFPSA-N

Note

  • A fatty acid coenzyme derivative which plays a key role in fatty acid oxidation and biosynthesis.

Molecular Formula

  • C37-H66-N7-O17-P3-S

Molecular Weight

  • 1005.95
 
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Names and Synonyms

Name of Substance

  • Palmitoyl coenzyme A

MeSH Heading

  • Palmitoyl coenzyme A

Synonyms

  • Coenzyme A, Palmitoyl
  • EINECS 217-177-7
  • Hexadecanoyl CoA
  • Palmitoyl CoA

Systematic Names

  • Coenzyme A, S-hexadecanoate
  • S-Palmitoylcoenzyme A

Registry Numbers

CAS Registry Number

  • 1763-10-6

System Generated Number

  • 0001763106

Structure Descriptors

InChI

InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32?,36-/m1/s1

InChIKey

MNBKLUUYKPBKDU-TZIIWEFPSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(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