Structure database (LMSD)

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LM IDLMFA01100018
Common Name2-amino-hexadecanoic acid
Systematic Name2-amino-hexadecanoic acid
SynonymsHexadecanoic acid, 2-amino-, (1)-
Exact Mass
271.2511 (neutral)    Calculate m/z:
FormulaC16H33NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2300
PubChem CID409322
CHEBI ID63776
InChIKeyXELWBYCKQCNAGY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14,17H2,1H3,(H,18,19)
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SMILES
C(C(N)CCCCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
311.30Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.78Molar
Refractivity
81.82