Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01031103
Common Name3E-Eicosenoic acid
Systematic Name3E-Eicosenoic acid
Synonyms3-Eicosenoic acid, (E)-; Eicosa-3t-enoic acid; 3t-Eicosenoic acid
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 20:1
PubChem CID14275180
PlantFA ID10590
InChIKeyZGCMECMZNBYNRC-ISLYRVAYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h17-18H,2-16,19H2,1H3,(H,21,22)/b18-17+
Click to highlight InChI
SMILES
C(C/C=C/CCCCCCCCCCCCCCCC)(=O)O
Click to highlight SMILES
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