Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170032
Common Name2E-Decenedioic acid
Systematic Name2E-Decenedioic acid
Synonyms-
Exact Mass
200.1049 (neutral)    Calculate m/z:
FormulaC10H16O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDAT ID2720
PubChem CID6442613
HMDB IDHMDB00603
InChIKeyXUNMWLWTZWWEIE-FNORWQNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H,1-4,6,8H2,(H,11,12)(H,
13,14)/b7-5+
SMILESC(/C=C/CCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
208.80Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.05Molar
Refractivity
52.11