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CHEBI:135998 - iodocholesterol (131I)

ChEBI IDCHEBI:135998
ChEBI Nameiodocholesterol (131I)
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC27H45O
Net Charge0
Average Mass516.562
Monoisotopic Mass516.25317
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C[131I])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=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
InChIKeyFIOAEFCJGZJUPW-ODFYUTSGSA-N
ChEBI Ontology
Outgoing Relation(s)
iodocholesterol (131I) (CHEBI:135998) is a cholestanoid (CHEBI:50401)
Synonym  Source
Iodocholesterol I 131DrugCentral
Manual XrefsDatabases
4578DrugCentral
Registry NumbersSources
CAS:42220-21-3DrugCentral