Structure database (LMSD)

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LM IDLMFA01050352
Common NameMevalonic acid (W)
Systematic Name3R-methyl-3,5-dihydroxy-pentanoic acid
Synonyms3,5-Dihydroxy-3-methylvaleric acid
Exact Mass
148.0736 (neutral)    Calculate m/z:
FormulaC6H12O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem CID439230
KEGG IDC00418
HMDB IDHMDB0059629
CHEBI ID28880
SWISSLIPIDS IDSLM:000000300
InChIKeyKJTLQQUUPVSXIM-ZCFIWIBFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
SMILESC(C[C@](C)(O)CCO)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
144.88Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP0.17Molar
Refractivity
35.58