Structure Database (LMSD)

Common Name
N-palmitoyl leucine
Systematic Name
N-hexadecanoyl-leucine
Synonyms
LM ID
LMFA08020115
Formula
C22H43NO3
Exact Mass
Calculate m/z
369.324294
Sum Composition
NALeu 16:0
Status
Active
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Identification of endogenous acyl amino acids based on a targeted lipidomics approach.,
J Lipid Res, 2010
Pubmed ID: 19584404

String Representations

InChiKey (Click to copy)
UEWVQOCQZFYTBW-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1
SMILES (Click to copy)
C([C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O)C(C)C

Other Databases

CHEBI ID
165555
PubChem CID
14993928

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 421.25
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.37
Molar Refractivity 109.85

Admin

Created at
-
Updated at
19th Feb 2024