Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA04000085
Common Name17Z-Docosenoic acid
Systematic Name17Z-Docosenoic acid
Synonyms22:1-δ-17c; (Z)-docos-17-enoic acid; Z-17-Docosenoic acid; 17c-Docosenoic
acid; 17c-Docosensaeure
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID101109963
PlantFA ID10367
InChIKeyUBKDYQFHAWUXEQ-WAYWQWQTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h5-6H,2-4,7-21H2,1H3,(H,23,24)/b6-5-
Click to highlight InChI
SMILES
C(CCCCCCCCCCCCCCC/C=C\CCCC)(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
401.46Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.67Molar
Refractivity
105.56