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Substance Name: Eicosapentaenoic acid-coenzyme A
RN: 121935-04-4
InChIKey: QBCOIRBQTCIPGA-WYQRDQHPSA-N

Molecular Formula

  • C41-H64-N7-O17-P3-S

Molecular Weight

  • 1051.9766
 
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Names and Synonyms

Name of Substance

  • Eicosapentaenoic acid-coenzyme A

Synonyms

  • Coenzyme A, eicosapentaenoic acid-
  • Eicosapentaenoic acid-coa
  • Epa-CoA

Systematic Name

  • Coenzyme A, S-4,7,10,13,16-eicosapentaenoate, (all-E)-

Registry Numbers

CAS Registry Number

  • 121935-04-4

System Generated Number

  • 0121935044

Structure Descriptors

InChI

1S/C41H64N7O17P3S/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/h6-7,9-10,12-13,15-16,18-19,28-30,34-36,40,51-52H,4-5,8,11,14,17,20-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b7-6+,10-9+,13-12+,16-15+,19-18+/t30-,34-,35-,36+,40-/m1/s1

InChIKey

QBCOIRBQTCIPGA-WYQRDQHPSA-N

Smiles

CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=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