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Substance Name: 12-((-5-Iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoic acid cholesteryl ester
RN: 125108-88-5
InChIKey: WASFNXUOAXICMC-GPVRCZESSA-N

Note

  • Probe of protein cholesterol & fatty acid binding sites.

Molecular Formula

  • C46-H71-I-N4-O4

Molecular Weight

  • 870.991
 
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Names and Synonyms

Name of Substance

  • 12-((-5-Iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoic acid cholesteryl ester

Synonym

  • Ifa-cea

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, 12-((4-azido-2-hydroxy-5-(iodo-125I)benzoyl)amino)dodecanoate

Registry Numbers

CAS Registry Number

  • 125108-88-5

System Generated Number

  • 0125108885

Structure Descriptors

InChI

1S/C46H71IN4O4/c1-31(2)16-15-17-32(3)37-21-22-38-35-20-19-33-28-34(23-25-45(33,4)39(35)24-26-46(37,38)5)55-43(53)18-13-11-9-7-6-8-10-12-14-27-49-44(54)36-29-40(47)41(50-51-48)30-42(36)52/h19,29-32,34-35,37-39,52H,6-18,20-28H2,1-5H3,(H,49,54)/t32-,34?,35?,37-,38?,39?,45+,46-/m1/s1

InChIKey

WASFNXUOAXICMC-GPVRCZESSA-N

Smiles

C(CCCCCCCCCCCNC(c1c(cc(c(c1)I)N=[N+]=[N-])O)=O)(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC=C2C1)[C@@H](CCCC(C)C)C)C)C