Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050453
Common Name(R)-2,3-Dihydroxy-isovalerate
Systematic Name(2R)-2,3-dihydroxy-3-methylbutanoic acid
Synonyms-
Exact Mass
134.0579 (neutral)    Calculate m/z:
FormulaC5H10O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem Compound ID (CID)440279
METABOLOMICS ID-
KEGG IDC04272
HMDB IDHMDB12141
YMDB ID-
CHEBI ID15684
InChIKeyJTEYKUFKXGDTEU-VKHMYHEASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1
SMILESCC(C)(O)[C@@H](O)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
127.58Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP-0.22Molar
Refractivity
30.96    
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