Structure Database (LMSD)

Common Name
N-lauroyl lysine
Systematic Name
N-dodecanoyl lysine
Synonyms
  • N-lauroyl-L-lysine
  • (S)-6-Amino-2-dodecanamidohexanoic acid
LM ID
LMFA08020262
Formula
C18H36N2O3
Exact Mass
Calculate m/z
328.272593
Sum Composition
NALys 12:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Biosynthesis, degradation and pharmacological importance of the fatty acid amides.,
Drug Discov Today, 2008
Pubmed ID: 18598910

String Representations

InChiKey (Click to copy)
PDQICKRFOKDJCH-INIZCTEOSA-N
InChi (Click to copy)
InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-16(18(22)23)13-11-12-15-19/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1
SMILES (Click to copy)
NCCCC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O

Other Databases

PubChem CID
9927445

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 363.05
Topological Polar Surface Area 92.42
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.18
Molar Refractivity 95.32

Admin

Created at
7th Aug 2019
Updated at
19th Feb 2024