Molecular Identity
MEGLUTOL
3-hydroxy-3-methylpentanedioic acid
PubChem CID: 1662
3-hydroxy-3-methylglutaric acid is a dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura. It has a role as an antimetabolite, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, an anticholesteremic drug, a plant metabolite and a human metabolite. It is a tertiary alcohol, a dicarboxylic acid and a 3-hydroxy carboxylic acid. It is functionally related to a glutaric acid. It is a conjugate acid of a 3-hydroxy-3-methylglutarate(1-).
2D Structure
Properties
C6H10O5
Molecular Formula
162.14
Molecular Weight
g/mol
162.0528
Exact Mass
Da
-1.2
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
158
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
MEGLUTOL503-49-13-Hydroxy-3-methylglutaric acid3-Hydroxy-3-methylpentanedioic acidDicrotalic acidPentanedioic acid, 3-hydroxy-3-methyl-HMGA3-hydroxy-3-methyl-glutaric acidbeta-Hydroxy-beta-methylglutaric acidMeglutolumCB 337CB-3373-Hydroxy-3-methylglutarate3-Hydorxy-3-methylglutaric acidCLA99KCD53
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to MEGLUTOL
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