Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030034
Common Name2-hendecenoic acid
Systematic Name2-undecenoic acid
SynonymsC11:1n-9
Exact Mass
184.1463 (neutral)    Calculate m/z:
FormulaC11H20O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0073
PubChem Compound ID (CID)5282728
CHEBI ID39450
InChIKeyIGBBVTAVILYDIO-MDZDMXLPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/b10-
9+
SMILESCCCCCCCC/C=C/C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
211.16Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.38Molar
Refractivity
54.77    
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