MetaADEDB 2.0 @ LMMD
lithocholate 3-O-glucuronide
(GIQXKAXWRLHLDD-VOJQCDQYSA-N)
Structure
SMILES
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C
Molecular Formula:
C30H48O9
Molecular Weight:
552.697
Log P:
3.4236
Hydrogen Bond Acceptor:
9
Hydrogen Bond Donor:
5
TPSA:
153.75
CAS Number(s):
75239-91-7
Synonym(s)
1.
lithocholate 3-O-glucuronide
2.
lithocholate 3-O-beta-D-glucuronide
3.
lithocholic acid glucuronide
External Link(s)
MeSHC041558
PubChem Compound126511
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Cholestasis1991154
20374298
CTD
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