Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050383
Common Name2S-acetyl-2-hydroxy-butanoic acid
Systematic Name2S-ethyl-2-hydroxy-3-oxobutanoic acid
Synonyms-
Exact Mass
146.0579 (neutral)    Calculate m/z:
FormulaC6H10O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem Compound ID (CID)440875
HMDB IDHMDB06900
InChIKeyVUQLHQFKACOHNZ-LURJTMIESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
SMILESCC(=O)[C@@](O)(CC)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
142.24Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP0.09Molar
Refractivity
34.07    
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