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ChEBI
> Main
CHEBI:135998 - iodocholesterol (131I)
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ChEBI Ontology
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ChEBI Name
iodocholesterol (131I)
ChEBI ID
CHEBI:135998
Stars
This entity has been manually annotated by a third party.
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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