Structure Database (LMSD)

Common Name
12-amino-octadecanoic acid
Systematic Name
12-amino-octadecanoic acid
Synonyms
LM ID
LMFA01100008
Formula
C18H37NO2
Exact Mass
Calculate m/z
299.282429
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]
Octadecanoids [FA02]

String Representations

InChiKey (Click to copy)
YUQFYQHUZOPVPH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H37NO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17H,2-16,19H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCCC(N)CCCCCC)(=O)O

Other Databases

LIPIDAT ID
2312
CHEBI ID
183518
PubChem CID
5312961

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 345.90
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.56
Molar Refractivity 91.05

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Updated at
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