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Substance Name: Arachidonyl-coenzyme A
RN: 17046-56-9
InChIKey: JDEPVTUUCBFJIW-YQVDHACTSA-N

Molecular Formula

  • C41-H66-N7-O17-P3-S

Molecular Weight

  • 1053.99
 
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Names and Synonyms

Name of Substance

  • Arachidonyl-coenzyme A

Synonyms

  • Arachidonoyl-CoA
  • Arachidonoyl-coenzyme A
  • Arachidonyl-coa
  • Coenzyme A, arachidonyl-

Systematic Name

  • Coenzyme A, S-5,8,11,14-eicosatetraenoate, (all-Z)-

Registry Numbers

CAS Registry Number

  • 17046-56-9

System Generated Number

  • 0017046569

Structure Descriptors

InChI

InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1

InChIKey

JDEPVTUUCBFJIW-YQVDHACTSA-N

Smiles

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=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