Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01120010
Common NameTetranor-5-NO2-CLA
Systematic Name5-nitro-5Z,7E-tetradecadienoic acid
Synonyms-
Exact Mass
269.1627 (neutral)    Calculate m/z:
FormulaC14H23NO4
CategoryFatty Acyls [FA]
Main Class-
Sub Class-
PubChem CID118701781
InChIKeyWBHKJNXCKZWPFQ-AWGJLQHSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-10-13(15(18)19)11-9-12-14(16)17/h7-8,10H,2-6
,9,11-12H2,1H3,(H,16,17)/b8-7+,13-10+
SMILESOC(=O)CCC/C(/[N+]([O-])=O)=C\C=C\CCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
286.36Topological Polar
Surface Area
80.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP3.93Molar
Refractivity
74.46