Structure Database (LMSD)

Common Name
N-palmitoyl glutamine
Systematic Name
N-hexadecanoyl-glutamine
Synonyms
LM ID
LMFA08020127
Formula
C21H40N2O4
Exact Mass
Calculate m/z
384.298808
Sum Composition
NAGln 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]

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)
KCXYSRAVPMMHKU-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C21H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)23-18(21(26)27)16-17-19(22)24/h18H,2-17H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/t18-/m0/s1
SMILES (Click to copy)
NC(=O)CC[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID
165552
PubChem CID
52922071

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 421.10
Topological Polar Surface Area 109.49
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.59
Molar Refractivity 108.82

Admin

Created at
-
Updated at
19th Feb 2024