Structure database (LMSD)

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LM IDLMFA01100009
Common Name2-amino-octadecanoic acid
Systematic Name2-amino-octadecanoic acid
Synonyms-
Exact Mass
299.2824 (neutral)    Calculate m/z:
FormulaC18H37NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
Alternative ClassesOctadecanoids[FA02]
LIPIDAT ID2311
PubChem CID409323
InChIKeyXRKBQVGBWJWJJJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16,19H2,1H3,(H,20,21)
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SMILES
C(C(N)CCCCCCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
345.90Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.56Molar
Refractivity
91.05