MetaADEDB 2.0 @ LMMD
6-ketocholestanol
(JQMQKOQOLPGBBE-ZNCJEFCDSA-N)
Structure
SMILES
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC(=O)[C@@H]2[C@]1(C)CC[C@@H](C2)O)C)C
Molecular Formula:
C27H46O2
Molecular Weight:
402.653
Log P:
6.6476
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
1
TPSA:
37.3
CAS Number(s):
1175-06-0
Synonym(s)
1.
6-ketocholestanol
2.
6-ketocholestanol, (3alpha,5alpha)-isomer
3.
6-ketocholestanol, (3beta,5alpha)-isomer
External Link(s)
MeSHC063833
PubChem Compound102008
BindingDB50045544
CHEMBLCHEMBL2418990
ZINC5758800
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Necrosis25445804CTD
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