Structure Database (LMSD)

H H 2 N O O N H OH O
Common Name
N-palmitoleyl glutamine
Systematic Name
N-(9Z-hexadecenoyl)-glutamine
Synonyms
  • 16:1-Gln
LM ID
LMFA08020218
Formula
C21H38N2O4
Exact Mass
Calculate m/z
382.283158
Sum Composition
NAGln 16:1
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]
Unsaturated fatty acids [FA0103]
Amino fatty acids [FA0110]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

String Representations

InChiKey (Click to copy)
RTYOSBVPVOEYFN-ZEVQVBBLSA-N
InChi (Click to copy)
InChI=1S/C21H38N2O4/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/h7-8,18H,2-6,9-17H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/b8-7-/t18-/m0/s1
SMILES (Click to copy)
[C@]([H])(NC(=O)CCCCCCC/C=C\CCCCCC)(CCC(N)=O)C(O)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Spodoptera exigua (#7107)
Insecta (#50557)
New fatty acid amides from regurgitant of Lepidopteran (Noctuidae, Geometridae) Caterpillars,
Tetrahedron, 1999

Other Databases

CHEBI ID
184295
PubChem CID
100937253

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 418.46
Topological Polar Surface Area 109.49
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.36
Molar Refractivity 108.72

Admin

Created at
-
Updated at
19th Feb 2024