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Substance Name: 12-((4-Azido-5-iodo-2-hydroxybenzoyl)amino)dodecanoate-coenzyme A
RN: 125108-87-4
InChIKey: VLPXLFGMSPVZHP-ZYPIRDQASA-N

Note

  • Probe of protein cholesterol & fatty acid binding sites.

Molecular Formula

  • C40-H61-I-N11-O19-P3-S

Molecular Weight

  • 1249.9679
 
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Names and Synonyms

Name of Substance

  • 12-((4-Azido-5-iodo-2-hydroxybenzoyl)amino)dodecanoate-coenzyme A

Synonyms

  • Coenzyme A, ifa-
  • Ifa-coa

Systematic Name

  • Coenzyme A, S-(12-((4-azido-2-hydroxy-5-(iodo-125I)benzoyl)amino)dodecanoate)

Registry Numbers

CAS Registry Number

  • 125108-87-4

System Generated Number

  • 0125108874

Structure Descriptors

InChI

1S/C40H61IN11O19P3S/c1-40(2,21-68-74(65,66)71-73(63,64)67-20-28-33(70-72(60,61)62)32(56)39(69-28)52-23-49-31-35(42)47-22-48-36(31)52)34(57)38(59)46-15-13-29(54)44-16-17-75-30(55)12-10-8-6-4-3-5-7-9-11-14-45-37(58)24-18-25(41)26(50-51-43)19-27(24)53/h18-19,22-23,28,32-34,39,53,56-57H,3-17,20-21H2,1-2H3,(H,44,54)(H,45,58)(H,46,59)(H,63,64)(H,65,66)(H2,42,47,48)(H2,60,61,62)/t28-,32-,33-,34+,39-/m1/s1/i41-2

InChIKey

VLPXLFGMSPVZHP-ZYPIRDQASA-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)CCCCCCCCCCCNC(=O)c4cc(c(cc4O)N=[N+]=[N-])[125I])O