Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050050
Common Name14-hydroxy palmitic acid
Systematic Name14-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]
LIPIDBANK IDDFA0316
PubChem CID5282905
InChIKeyKBDZCYDPGRYCRM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H32O3/c1-2-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
Click to highlight InChI
SMILES
C(CCCCCCCCCCC(O)CC)CC(=O)O
Click to highlight SMILES
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