Structure database (LMSD)

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LM IDLMFA01050469
Common Name2,3-Dihydroxy-3-methylpentanoic acid
Systematic Name2,3-dihydroxy-3-methyl-pentanoic acid
Synonyms4,5-dideoxy-3-c-methylpentonic acid; pentonic acid, 4,5-dideoxy-3-C-methyl-; 2,
3-dihydroxy-3-methylvalerate; 2,3-dihydroxy-3-methylpentanoate
Exact Mass
148.0736 (neutral)    Calculate m/z:
FormulaC6H12O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem Compound ID (CID)8
METABOLOMICS ID-
KEGG IDC04104
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyPDGXJDXVGMHUIR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)
SMILESCCC(C)(O)C(O)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
144.88Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP0.17Molar
Refractivity
35.58    
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