Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100055
Common Name5-amino-levulinic acid
Systematic Name4-oxo-5-amino-pentanoic acid
Synonyms-
Exact Mass
131.0582 (neutral)    Calculate m/z:
FormulaC5H9NO3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem Compound ID (CID)137
METABOLOMICS ID-
KEGG ID-
HMDB IDHMDB01149
YMDB ID-
CHEBI ID-
InChIKeyZGXJTSGNIOSYLO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
SMILESNCC(=O)CCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
127.15Topological Polar
Surface Area
80.39Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP-0.34Molar
Refractivity
31.42    
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