Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030082
Common Name17Z-octadecenoic acid
Systematic Name17Z-octadecenoic acid
Synonymscis-17-octadecenoic acid; C18:1n-1
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0121
PubChem CID5282765
InChIKeyZOKDQRULUYMUFA-ARJAWSKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4
H,2,5-19H2,1H3,(H,21,22)/b4-3-
SMILESC(CCCCCC/C=C\CC)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
366.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.89Molar
Refractivity
96.32