HGMMX

Simvastatin

Type: Approved drug
PubChem: 54454
DrugBank: DB00641
IUPAC: 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
Standard InChI: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
Standard InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N
SMILES: CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
Metabolism-related information: Altering its lipids-lowering activity
Reference: 10.1517/17425255.2016.1121234

Metabolites

Chemical Structure Metablite's name Reaction name Genus Species Reference
Lactic acidHydrolysisGut microbiotaGut microbiota10.1517/17425255.2016.1121234