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Substance Name: 3-Hydroxyoctadecanoyl-coenzyme A
RN: 42578-91-6
InChIKey: WZMAIEGYXCOYSH-UHFFFAOYSA-N

Molecular Formula

  • C39-H70-N7-O18-P3-S

Molecular Weight

  • 1050.0
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxyoctadecanoyl-coenzyme A

Synonyms

  • 3-Hydroxyoctadecanoyl-coa
  • beta-Hydroxystearoyl-coa
  • beta-Hydroxystearyl-coa
  • Coenzyme A, 3-hydroxyoctadecanoyl-

Systematic Name

  • Coenzyme A, S-(3-hydroxyoctadecanoate)

Registry Numbers

CAS Registry Number

  • 42578-91-6

System Generated Number

  • 0042578916

Structure Descriptors

InChI

1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)

InChIKey

WZMAIEGYXCOYSH-UHFFFAOYSA-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)C[C@@H](O)CCCCCCCCCCCCCCC