CHEBI:135998 - iodocholesterol (131I)

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ChEBI Name iodocholesterol (131I)
ChEBI ID CHEBI:135998
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H45[131I]O
Net Charge 0
Average Mass 516.562
Monoisotopic Mass 516.25317
InChI InChI=1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1/i28+4
InChIKey FIOAEFCJGZJUPW-ODFYUTSGSA-N
SMILES C([131I])[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@](CC4)([C@@H](CCCC(C)C)C)[H])[H])(CC=C1C[C@H](CC2)O)[H])[H]
ChEBI Ontology
Outgoing iodocholesterol (131I) (CHEBI:135998) is a cholestanoid (CHEBI:50401)
Synonym Source
Iodocholesterol I 131 DrugCentral
Manual Xref Database
4578 DrugCentral
View more database links
Registry Number Type Source
42220-21-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017