Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170008
Common Name2E,4E,8E,10E-Dodecatetraenedioic acid
Systematic Name2E,4E,8E,10E-Dodecatetraenedioic acid
Synonyms-
Exact Mass
222.0892 (neutral)    Calculate m/z:
FormulaC12H14O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDAT ID3330
PubChem CID9543653
InChIKeySXPCMUCUZSVRMB-MIIZMDLZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-10H,1-2H2,(H,13,14)
(H,15,16)/b5-3+,6-4+,9-7+,10-8+
SMILESC(/C=C/C=C/CC/C=C/C=C/C(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
235.48Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.16Molar
Refractivity
61.07