Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100045
Common Name2-Amino-3-hydroxypropanoic acid
Systematic Name2-Amino-3-hydroxypropanoic acid
Synonyms-
Exact Mass
105.0426 (neutral)    Calculate m/z:
FormulaC3H7NO3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID617
HMDB IDHMDB0062263
InChIKeyMTCFGRXMJLQNBG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
SMILESC(C(N)CO)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
95.19Topological Polar
Surface Area
83.55Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP-1.04Molar
Refractivity
23.70