Structure Database (LMSD)

Common Name
N-linolenoyl-glutamine
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl)-glutamine
Synonyms
LM ID
LMFA00000004
Status
Active
Exact Mass
Calculate m/z
406.283158
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FEFAAEYMDHYUFL-IWFQAGGASA-N
InChi (Click to copy)
InChI=1S/C23H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h3-4,6-7,9-10,20H,2,5,8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b4-3-,7-6-,10-9-/t20-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\C/C=C\CC)(=O)N[C@@]([H])(CCC(N)=O)C(O)=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 447.78
Topological Polar Surface Area 109.49
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.70
Molar Refractivity 117.77

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Updated at
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