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Substance Name: Erucyl-coenzyme A
RN: 24330-90-3
InChIKey: OWGHRDKRIGXBJM-QXMHVHEDSA-N

Molecular Weight

  • 1088.09
 
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Names and Synonyms

Name of Substance

  • Erucyl-coenzyme A

Synonyms

  • Coenzyme A, erucoyl-
  • Coenzyme A, erucyl-
  • Ercoyl-coenzyme A
  • Erucoyl-coa
  • Erucyl-coa
  • S-Erucyl-coenzyme A

Systematic Name

  • Coenzyme A, S-13-docosenoate, (Z)-

Registry Numbers

CAS Registry Number

  • 24330-90-3

System Generated Number

  • 0024330903

Structure Descriptors

InChI

1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11-

InChIKey

OWGHRDKRIGXBJM-QXMHVHEDSA-N

Smiles

C(=O)(SCCNC(CCNC([C@@H](C(CO[P@@](O[P@@](OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(ncnc12)N)(=O)O)(=O)O)(C)C)O)=O)=O)CCCCCCCCCCC\C=C/CCCCCCCC