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simvastatin

Properties

Image

Occurences in reactions

MNX_ID

MNXM21753

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₅H₃₈O₅

charge

mass

418.27192

reference

chebi:9150

InChIKey

RYMZZMVNJRMUDD-HGQWONQESA-N

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

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9150 chebi:9150	simvastatin (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate 2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one MK-733 Simvastatin Simvastatina Simvastatine Simvastatinum Zocor
kegg.drug:D00434 keggD:D00434	Simvastatin (JP18/USP/INN) MK-733 Zocor (TN)
hmdb:HMDB0005007	Simvastatin (+)-Simvastatin (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate 2,2-Dimethylbutyrate, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8ar)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one 2,2-Dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8ar)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one Cholestat Denan Eucor Kolestevan Lipex Lipinorm Liponorm Lipovas Lodales MK-733 Modutrol Nor-vastina Pepstatin Rechol Simcor Simovil Simvastatin lactone Simvastatina Simvastatine Simvastatinum Simvotin Sinvacor Sinvascor Sivastin Statin Synvinolin Valemia Velostatin Zocor Zocord simvastatin
seed.compound:cpd26601 seedM:cpd26601	inactive simvastatin simvastatin simvastatin lactone simvastatin predrug zocor
metacyc.compound:CPD66-17 metacycM:CPD66-17	simvastatin lactone inactive simvastatin simvastatin predrug zocor
hmdb:HMDB0014779 hmdb:HMDB05007 hmdb:HMDB14779 chebi:45577 keggD:M_D00434 seedM:M_cpd26601	secondary/obsolete/fantasy identifier