Structure Database (LMSD)

Common Name
2-amino-tetradecanoic acid
Systematic Name
2-amino-tetradecanoic acid
Synonyms
LM ID
LMFA01100007
Formula
C14H29NO2
Exact Mass
Calculate m/z
243.219829
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)
BVXKPGXJOLWHFI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12,15H2,1H3,(H,16,17)
SMILES (Click to copy)
C(C(N)CCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
2328
CHEBI ID
165350
PubChem CID
252477

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 276.70
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.00
Molar Refractivity 72.58

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Created at
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Updated at
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