Structure Database (LMSD)

Common Name
12-amino-dodecanoic acid
Systematic Name
12-amino-dodecanoic acid
Synonyms
LM ID
LMFA01100005
Formula
C12H25NO2
Exact Mass
Calculate m/z
215.188529
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PBLZLIFKVPJDCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
SMILES (Click to copy)
C(CCCCCCCCCCCN)(=O)O

References

Other Databases

LIPIDAT ID
2291
CHEBI ID
42025
PubChem CID
69661
PDB ID
DOA

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 242.10
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.22
Molar Refractivity 63.35

Admin

Created at
-
Updated at
-