Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050188
Common Name3-hydroxy-hexadecanoic acid
Systematic Name3-hydroxy-hexadecanoic acid
Synonyms-
Exact Mass
272.2351 (neutral)    Calculate m/z:
FormulaC16H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDAT ID1796
PubChem CID301590
HMDB IDHMDB0061658
CHEBI ID37248
PlantFA ID10258
SWISSLIPIDS IDSLM:000000822
CAYMAN ID19934
InChIKeyCBWALJHXHCJYTE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H
2,1H3,(H,18,19)
SMILESC(CC(O)CCCCCCCCCCCCC)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
309.09Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.81Molar
Refractivity
79.85