Structure Database (LMSD)

Common Name
N6-physeteroyl lysine
Systematic Name
N6-(5Z-tetradecenoyl) lysine
Synonyms
  • N6-(tetradec-5Z-enoyl)-L-lysine
LM ID
LMFA08020267
Formula
C20H38N2O3
Exact Mass
Calculate m/z
354.288243
Sum Composition
NALys 14:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
NHSCEIYMYOJZKZ-LPADLIQXSA-N
InChi (Click to copy)
InChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h9-10,18H,2-8,11-17,21H2,1H3,(H,22,23)(H,24,25)/b10-9-/t18-/m0/s1
SMILES (Click to copy)
N(CCCC[C@H](N)C(=O)O)C(=O)CCC/C=C\CCCCCCCC

Other Databases

PubChem CID
171120641

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 395.01
Topological Polar Surface Area 92.42
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.73
Molar Refractivity 104.46

Admin

Created at
9th Aug 2019
Updated at
19th Feb 2024