Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08020194
Common NameN-formylmaleamic acid
Systematic Name(2Z)-4-formamido-4-oxobut-2-enoic acid
Synonyms(Z)-4-formamido-4-oxobut-2-enoic acid
Exact Mass
143.0219 (neutral)    Calculate m/z:
FormulaC5H5NO4
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevNA 5:3;O3
PubChem CID25188420
KEGG IDC18232
CHEBI ID59930
InChIKeyHSKSAKBZUITULZ-UPHRSURJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-
Click to highlight InChI
SMILES
C(=O)(NC=O)/C=C\C(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
130.66Topological Polar
Surface Area
83.47Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP-1.10Molar
Refractivity
30.98