Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100039
Common Name- (W)
Systematic Name4-amino-butanoic acid
Synonyms4-Aminobutanoic acid
Exact Mass
103.0633 (neutral)    Calculate m/z:
FormulaC4H9NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem Compound ID (CID)119
METABOLOMICS ID-
KEGG IDC00334
HMDB IDHMDB00112
YMDB ID-
CHEBI ID16865
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
SMILESNCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
103.70Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP0.09Molar
Refractivity
26.41    
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