Structure database (LMSD)

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LM IDLMFA01100005
Common Name12-amino-dodecanoic acid
Systematic Name12-amino-dodecanoic acid
Synonyms-
Exact Mass
215.1885 (neutral)    Calculate m/z:
FormulaC12H25NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2291
PubChem CID69661
CHEBI ID42025
InChIKeyPBLZLIFKVPJDCO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
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SMILES
C(CCCCCCCCCCCN)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
242.10Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.22Molar
Refractivity
63.35