Structure Database (LMSD)

Common Name
13-amino-tridecanoic acid
Systematic Name
13-amino-tridecanoic acid
Synonyms
LM ID
LMFA01100006
Formula
C13H27NO2
Exact Mass
Calculate m/z
229.204179
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)
YHNQOXAUNKFXNZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H27NO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h1-12,14H2,(H,15,16)
SMILES (Click to copy)
C(CCCCCCCCCCCCN)(=O)O

Other Databases

LIPIDAT ID
2332
CHEBI ID
184283
PubChem CID
5182019

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 259.40
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.61
Molar Refractivity 67.97

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Updated at
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