Structure Database (LMSD)
Common Name
N-(3-oxo-decanoyl)-homoserine lactone
Systematic Name
N-(3-oxo-decanoyl)-homoserine lactone
Synonyms
- 3O-C10-HSL
3D model of N-(3-oxo-decanoyl)-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
Sinorhizobium meliloti
(#382)
Alphaproteobacteria
(#28211)
Characterization of the Sinorhizobium meliloti sinR/sinI locus and the production of novel N-acyl homoserine lactones.,
J Bacteriol, 2002
J Bacteriol, 2002
Pubmed ID:
12270827
String Representations
InChiKey (Click to copy)
KYGIKEQVUKTKRR-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CC(=O)CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
1
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
276.64
Topological Polar Surface Area
74.54
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
2.31
Molar Refractivity
71.51
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Updated at
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