Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170109
Common NameGlutaconic acid
Systematic Name2E-pentenedioic acid
Synonyms-
Exact Mass
130.0266 (neutral)    Calculate m/z:
FormulaC5H6O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
PubChem CID5280498
HMDB IDHMDB0000620
InChIKeyXVOUMQNXTGKGMA-OWOJBTEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
SMILESC(=O)(O)/C=C/CC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
122.30Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP0.10Molar
Refractivity
29.03