Structure Database (LMSD)
Common Name
N-(3-oxo-5Z-dodecenoyl)-homoserine lactone
Systematic Name
N-(3-oxo-5Z-dodecenoyl)-homoserine lactone
Synonyms
- 5-cis-3-oxo-C12-HSL
3D model of N-(3-oxo-5Z-dodecenoyl)-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
Mesorhizobium sp. R8-Ret-T53-13d
(#367930)
Alphaproteobacteria
(#28211)
A marine Mesorhizobium sp. produces structurally novel long-chain N-acyl-L-homoserine lactones.,
Appl Environ Microbiol, 2007
Appl Environ Microbiol, 2007
Pubmed ID:
17400774
DOI:
10.1128/AEM.02344-06
String Representations
InChiKey (Click to copy)
GSYMCMFUEWHHKD-ZPIQOJFGSA-N
InChi (Click to copy)
InChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-13(18)12-14(19)17-15-10-11-16(20)21-15/h7-8,15H,2-6,9-12H2,1H3,(H,17,19)/b8-7-/t15-/m1/s1
SMILES (Click to copy)
C(CC(=O)C/C=C\CCCCCC)(=O)N[C@@H]1OC(=O)CC1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
308.60
Topological Polar Surface Area
74.54
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
2.93
Molar Refractivity
79.91
Admin
Created at
27th Nov 2020
Updated at
27th Nov 2020