Structure database (LMSD)

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LM IDLMFA01050012
Common NameDL-3-hydroxy caproic acid
Systematic Name3-hydroxy-hexanoic acid
Synonyms-
Exact Mass
132.0786 (neutral)    Calculate m/z:
FormulaC6H12O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0278
PubChem CID151492
HMDB IDHMDB0061652
CHEBI ID37035
CAYMAN ID24607
InChIKeyHPMGFDVTYHWBAG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
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SMILES
C(O)(CCC)CC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
136.09Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP0.91Molar
Refractivity
33.68