Structure Database (LMSD)

Common Name
2S-aminohexadecanoic acid
Systematic Name
2S-aminohexadecanoic acid
Synonyms
  • Hexadecanoic acid, 2-amino-, (S)-
LM ID
LMFA01100017
Formula
C16H33NO2
Exact Mass
Calculate m/z
271.251129
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
XELWBYCKQCNAGY-HNNXBMFYSA-N
InChi (Click to copy)
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)/t15-/m0/s1
SMILES (Click to copy)
C([C@@H](N)CCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
2299
CHEBI ID
168863
PubChem CID
5312967

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 311.30
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.78
Molar Refractivity 81.82

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Updated at
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