DeepMet

Record Information
HMDB Status	quantified
Creation Date	2024-02-20 23:38:39 UTC
Update Date	2025-03-21 17:58:08 UTC
HMDB ID	HMDB0005006
Metabolite Identification
DeepMet ID	DMID00012359
Name	Atorvastatin
Frequency	368.4
Structure
Chemical Formula	C₃₃H₃₅FN₂O₅
Molecular Mass	558.253
SMILES	CC(C)c1c(C(O)=Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChI Key	XUKUURHRXDUEBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	aryl fluorides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acids fluorobenzenes halogenated fatty acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides organofluorides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols substituted pyrroles
Substituents	aryl fluoride fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid fatty acid substituted pyrrole carboxylic acid derivative organohalogen compound medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound beta-hydroxy acid fluorobenzene organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol halogenated fatty acid azacycle organofluoride heteroaromatic compound organic 1,3-dipolar compound aryl halide monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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