Structure Database (LMSD)
Common Name
N-oleoyl GABA
Systematic Name
N-(9Z-octadecenoyl)-γ-aminobutyric acid
Synonyms
LM ID
LMFA08020104
Formula
Exact Mass
Calculate m/z
367.308644
Sum Composition
Status
Active
3D model of N-oleoyl GABA
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)
NFYDTZXYPVTQHJ-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h9-10H,2-8,11-20H2,1H3,(H,23,24)(H,25,26)/b10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCCC)(=O)NCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
418.61
Topological Polar Surface Area
66.40
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.29
Molar Refractivity
109.82
Admin
Created at
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Updated at
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