Structure database (LMSD)

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LM IDLMFA01100006
Common Name13-amino-tridecanoic acid
Systematic Name13-amino-tridecanoic acid
Synonyms-
Exact Mass
229.2042 (neutral)    Calculate m/z:
FormulaC13H27NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2332
PubChem CID5182019
InChIKeyYHNQOXAUNKFXNZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H27NO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h1-12,14H2,(H,15,16)
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SMILES
C(CCCCCCCCCCCCN)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
259.40Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.61Molar
Refractivity
67.97