Structure Database (LMSD)
Common Name
N-(3-oxo-9Z-hexadecenoyl)-homoserine lactone
Systematic Name
N-(3-oxo-9Z-hexadecenoyl)-homoserine lactone
Synonyms
- 9-cis-3-oxo-C16-HSL
3D model of N-(3-oxo-9Z-hexadecenoyl)-homoserine lactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Paraburkholderia tropica
(#92647)
Betaproteobacteria
(#28216)
Structural characterization of N-acyl-homoserine lactones from bacterial quorum sensing using LC-MS/MS analyses after Paternò-Büchi derivatization in solution.,
Anal Bioanal Chem, 2024
Anal Bioanal Chem, 2024
Pubmed ID:
38842688
String Representations
InChiKey (Click to copy)
YUJABRVGRPOAIZ-QULHZPMSSA-N
InChi (Click to copy)
InChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-18(23)21-19-14-15-20(24)25-19/h7-8,19H,2-6,9-16H2,1H3,(H,21,23)/b8-7-/t19-/m1/s1
SMILES (Click to copy)
C(CC(=O)CCCCC/C=C\CCCCCC)(=O)N[C@@H]1OC(=O)CC1
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
377.80
Topological Polar Surface Area
74.54
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
4.49
Molar Refractivity
98.38
Admin
Created at
24th Jun 2024
Updated at
24th Jun 2024