Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050153
Common Name3-hydroxy-decanoic acid
Systematic Name3-hydroxy-decanoic acid
Synonyms-
Exact Mass
188.1412 (neutral)    Calculate m/z:
FormulaC10H20O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDAT ID1799
PubChem CID26612
HMDB IDHMDB0002203
InChIKeyFYSSBMZUBSBFJL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
SMILESC(CC(O)CCCCCCC)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
205.29Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP2.47Molar
Refractivity
52.15