Structure database (LMSD)

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LM IDLMFA01100001
Common Name2S-amino-tridecanoic acid
Systematic Name2S-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]
PubChem CID656741
KEGG IDC13795
CHEBI ID34313
InChIKeyJZXHUPALAOUFMA-LBPRGKRZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)/t12-/m0/s1
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SMILES
C([C@@H](N)CCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
259.40Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.61Molar
Refractivity
67.97