Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030085
Common Namecis-gondoic acid
Systematic Name11Z-eicosenoic acid
Synonymscis-11-eicosenoic acid; cis-11-icosenoic acid; C20:1n-9
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0124
PubChem CID5282768
KEGG IDC16526
HMDB IDHMDB0002231
CHEBI ID32425
PlantFA ID10131
SWISSLIPIDS IDSLM:000000930
CAYMAN ID20606
InChIKeyBITHHVVYSMSWAG-KTKRTIGZSA-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/h9-1
0H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
SMILESC(CCCCCCC(=O)O)CC/C=C\CCCCCCCC
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