Structure Database (LMSD)
Common Name
N-linoleoyl valine
Systematic Name
N-(9Z,12Z-octadecadienoyl)-valine
Synonyms
LM ID
LMFA08020121
Formula
Exact Mass
Calculate m/z
379.308644
Sum Composition
Status
Active
3D model of N-linoleoyl valine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OBXMQPZPFUXHDL-FQPCFBMWSA-N
InChi (Click to copy)
InChI=1S/C23H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-22(20(2)3)23(26)27/h8-9,11-12,20,22H,4-7,10,13-19H2,1-3H3,(H,24,25)(H,26,27)/b9-8-,12-11-/t22-/m0/s1
SMILES (Click to copy)
CC(C)[C@]([H])(NC(CCCCCCC/C=C\C/C=C\CCCCC)=O)C(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
433.27
Topological Polar Surface Area
66.40
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.31
Molar Refractivity
114.27
Admin
Created at
-
Updated at
19th Feb 2024