(R)-mevalonate   

GtoPdb Ligand ID: 3042

Synonyms: mevalonate | mevalonic acid
Comment: (R)-mevalonate is often referred to as mevalonate since only the R form is biologically active
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 80.59
Molecular weight 147.07
XLogP -1.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCCC(CC(=O)[O-])(O)C
Isomeric SMILES OCC[C@](CC(=O)[O-])(O)C
InChI InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
InChI Key KJTLQQUUPVSXIM-ZCFIWIBFSA-M
Classification
Compound class Metabolite or derivative
IUPAC Name
(3R)-3,5-dihydroxy-3-methylpentanoate
Synonyms
mevalonate | mevalonic acid
Database Links
ChEBI CHEBI:36464
DrugBank Ligand DB03518
GtoPdb PubChem SID 135651556
PubChem CID 5288798
RCSB PDB Ligand MEV
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