MAH
3-HYDROXY-3-METHYL-GLUTARIC ACID
Created: | 2000-01-12 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 0 |
Bond Count | 20 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 3-HYDROXY-3-METHYL-GLUTARIC ACID |
Systematic Name (OpenEye OEToolkits) | 3-hydroxy-3-methyl-pentanedioic acid |
Formula | C6 H10 O5 |
Molecular Weight | 162.141 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CC(O)(C)CC(=O)O |
SMILES | CACTVS | 3.341 | CC(O)(CC(O)=O)CC(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)O)(CC(=O)O)O |
Canonical SMILES | CACTVS | 3.341 | CC(O)(CC(O)=O)CC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)O)(CC(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) |
InChIKey | InChI | 1.03 | NPOAOTPXWNWTSH-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB04377 |
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Name | Meglutol |
Groups | experimental |
Description | An antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids. It acts by interfering with the enzymatic steps involved in the conversion of acetate to hydroxymethylglutaryl coenzyme A as well as inhibiting the activity of HYDROXYMETHYLGLUTARYL COA REDUCTASES which is the rate limiting enzyme in the biosynthesis of cholesterol. |
Synonyms |
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Categories |
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ATC-Code | C10AX05 |
CAS number | 503-49-1 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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3-hydroxy-3-methylglutaryl-coenzyme A reductase | MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYEC... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL50444 |
PubChem | 1662 |
ChEMBL | CHEMBL50444 |
ChEBI | CHEBI:16831 |