Structure Database (LMSD)
Common Name
N-(17-hydroxy-9,12-octadecadienoyl)-glutamine
Systematic Name
N-(17-hydroxy-9Z,12Z-octadecadienoyl)-glutamine
Synonyms
LM ID
LMFA08020215
Formula
Exact Mass
Calculate m/z
424.293723
Sum Composition
Status
Active
3D model of N-(17-hydroxy-9,12-octadecadienoyl)-glutamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
JPDHHIDMPUIHBY-YHIZTDPQSA-N
InChi (Click to copy)
InChI=1S/C23H40N2O5/c1-19(26)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(28)25-20(23(29)30)17-18-21(24)27/h2-3,7,9,19-20,26H,4-6,8,10-18H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b3-2-,9-7-/t19?,20-/m0/s1
SMILES (Click to copy)
[C@@]([H])(CCC(N)=O)(NC(=O)CCCCCCC/C=C\C/C=C\CCCC(O)C)C(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
459.21
Topological Polar Surface Area
129.72
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
4.18
Molar Refractivity
119.77
Admin
Created at
-
Updated at
19th Feb 2024