Structure Database (LMSD)

Common Name
N-linolenoyl glutamic acid
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl)-glutamic acid
Synonyms
  • 18:3-Glu
LM ID
LMFA08020214
Formula
C23H37NO5
Exact Mass
Calculate m/z
407.267174
Sum Composition
NAGlu 18:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Epirrita autumnata (#201501)
Insecta (#50557)
New fatty acid amides from regurgitant of Lepidopteran (Noctuidae, Geometridae) Caterpillars,
Tetrahedron, 1999

String Representations

InChiKey (Click to copy)
RXFSHENKDCMKTN-IWFQAGGASA-N
InChi (Click to copy)
InChI=1S/C23H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h3-4,6-7,9-10,20H,2,5,8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b4-3-,7-6-,10-9-/t20-/m0/s1
SMILES (Click to copy)
[C@]([H])(NC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(CCC(O)=O)C(O)=O

Other Databases

CHEBI ID
184503
PubChem CID
100937251

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 445.57
Topological Polar Surface Area 103.70
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.30
Molar Refractivity 116.21

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Created at
-
Updated at
19th Feb 2024