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Substance Name: Stearoyl-coenzyme A
RN: 362-66-3
UNII: OBC49BV194
InChIKey: SIARJEKBADXQJG-LFZQUHGESA-N

Classification Code

  • Antiviral (COVID-19)

Molecular Formula

  • C39-H70-N7-O17-P3-S

Molecular Weight

  • 1034.0
 
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Names and Synonyms

Name of Substance

  • Stearoyl-coenzyme A

Synonyms

  • EINECS 206-648-2
  • UNII-OBC49BV194

Systematic Name

  • S-Stearoylcoenzyme A

Registry Numbers

CAS Registry Number

  • 362-66-3

FDA UNII

  • OBC49BV194

System Generated Number

  • 0000362663

Structure Descriptors

InChI

InChI=1S/C39H70N7O17P3S/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/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1

InChIKey

SIARJEKBADXQJG-LFZQUHGESA-N

Smiles

CCCCCCCCCCCCCCCCCC(=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