Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100042
Common Name2S-amino-hexanoic acid (W)
Systematic Name2S-amino-hexanoic acid
Synonyms(S)-2-Aminohexanoic acid
Exact Mass
131.0946 (neutral)    Calculate m/z:
FormulaC6H13NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID21236
KEGG IDC01933
HMDB IDHMDB0001645
CHEBI ID18347
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
SMILES[C@H](N)(CCCC)C(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
138.30Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP0.87Molar
Refractivity
35.65