Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170005
Common Name2E,4E,6E,8E-Decatetraenedioic acid
Systematic Name2E,4E,6E,8E-Decatetraenedioic acid
Synonyms-
Exact Mass
194.0579 (neutral)    Calculate m/z:
FormulaC10H10O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDAT ID2688
PubChem CID5812560
InChIKeyQHYKVJVPIJCRRT-QEQQUMNJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H,(H,11,12)(H,13,14)/b3-
1+,4-2+,7-5+,8-6+
SMILESC(/C=C/C=C/C=C/C=C/C(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
200.88Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP1.38Molar
Refractivity
51.83