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Substance Name: Linoleoyl-coenzyme A
RN: 40757-80-0
InChIKey: YECLLIMZHNYFCK-RQHJKPPISA-N

Molecular Weight

  • 1029.97
 
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Names and Synonyms

Name of Substance

  • Linoleoyl-coenzyme A

Synonyms

  • Coenzyme A, linoleoyl-
  • Coenzyme A, S-9,12-octadecadienoate, (Z,Z)
  • Linoleoyl-coa

Systematic Name

  • Coenzyme A, S-9,12-octadecadienoate-

Registry Numbers

CAS Registry Number

  • 40757-80-0

System Generated Number

  • 0040757800

Structure Descriptors

InChI

1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8+,12-11+/t28-,32-,33-,34+,38-/m1/s1

InChIKey

YECLLIMZHNYFCK-RQHJKPPISA-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(CCCCCCC\C=C\C\C=C\CCCCC)=O)=O)=O)O)=O)(=O)O)(O)=O