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Substance Name: 12-(4'-Azido-2'-nitrophenoxy)dodecanoyl-coenzyme A
RN: 130766-07-3
InChIKey: YTTUVWRNKSNZFE-LFZQUHGESA-N

Molecular Formula

  • C39-H60-N11-O20-P3-S

Molecular Weight

  • 1127.948
 
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Names and Synonyms

Name of Substance

  • 12-(4'-Azido-2'-nitrophenoxy)dodecanoyl-coenzyme A

Synonyms

  • And-coa
  • Coa, and-

Systematic Name

  • Coenzyme A, S-(12-(4-azido-2-nitrophenoxy)dodecanoate)

Registry Numbers

CAS Registry Number

  • 130766-07-3

System Generated Number

  • 0130766073

Structure Descriptors

InChI

1S/C39H60N11O20P3S/c1-39(2,22-67-73(63,64)70-72(61,62)66-21-28-33(69-71(58,59)60)32(53)38(68-28)49-24-46-31-35(40)44-23-45-36(31)49)34(54)37(55)43-16-15-29(51)42-17-19-74-30(52)12-10-8-6-4-3-5-7-9-11-18-65-27-14-13-25(47-48-41)20-26(27)50(56)57/h13-14,20,23-24,28,32-34,38,53-54H,3-12,15-19,21-22H2,1-2H3,(H,42,51)(H,43,55)(H,61,62)(H,63,64)(H2,40,44,45)(H2,58,59,60)/t28-,32-,33-,34+,38-/m1/s1

InChIKey

YTTUVWRNKSNZFE-LFZQUHGESA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCOc4ccc(cc4[N+](=O)[O-])N=[N+]=[N-])O