Structure database (LMSD)

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LM IDLMFA01050343
Common Name2-oxo-4-hydroxy-hexanoic acid
Systematic Name2-oxo-4-hydroxy-hexanoic acid
Synonyms4-Hydroxy-2-oxohexanoic acid
Exact Mass
146.0579 (neutral)    Calculate m/z:
FormulaC6H10O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesOxo fatty acids[FA0106]
PubChem CID441164
KEGG IDC06762
CHEBI ID27530
InChIKeyALFQPWXBAWHVDP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)
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SMILES
OC(=O)C(=O)CC(O)CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
142.24Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP0.09Molar
Refractivity
34.07