MetaADEDB 2.0 @ LMMD
7-ketocholesterol
(YIKKMWSQVKJCOP-ABXCMAEBSA-N)
Structure
SMILES
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(=O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C
Molecular Formula:
C27H44O2
Molecular Weight:
400.637
Log P:
6.5677
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
1
TPSA:
37.3
CAS Number(s):
566-28-9
Synonym(s)
1.
7-ketocholesterol
2.
3beta-hydroxy-5-cholestene-7-one
3.
5-cholesten-3 beta-ol-7-one
4.
7-oxocholesterol
External Link(s)
MeSHC003001
PubChem Compound91474
BindingDB50045552
ChEBI64294
CHEMBLCHEMBL1278177
ZINC5758789
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Atherosclerosis16632123CTD
2Necrosis12450566CTD
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