Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100040
Common Name5-amino-pentanoic acid
Systematic Name5-amino-pentanoic acid
Synonyms5-Aminopentanoic acid
Exact Mass
117.0790 (neutral)    Calculate m/z:
FormulaC5H11NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID138
KEGG IDC00431
HMDB IDHMDB0003355
CHEBI ID15887
InChIKeyJJMDCOVWQOJGCB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
SMILESC(C(=O)O)CCCN
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
121.00Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP0.48Molar
Refractivity
31.03