Structure Database (LMSD)
Common Name
N-(3-oxo-11Z-octadecenoyl)-homoserine lactone
Systematic Name
N-(3-oxo-11Z-octadecenoyl)-homoserine lactone
Synonyms
- 3O-C18:1-HSL
3D model of N-(3-oxo-11Z-octadecenoyl)-homoserine lactone
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)
GVICTYCNLVDGLY-AQWUKCDYSA-N
InChi (Click to copy)
InChI=1S/C22H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)18-21(25)23-20-16-17-27-22(20)26/h7-8,20H,2-6,9-18H2,1H3,(H,23,25)/b8-7-/t20-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CC(=O)CCCCCCC/C=C\CCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
412.40
Topological Polar Surface Area
74.54
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
5.21
Molar Refractivity
108.35
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Created at
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Updated at
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