Structure Database (LMSD)
Common Name
N-isovaleryl-homoserine lactone
Systematic Name
N-(4-methyl-butanoyl)-l-homoserine lactone
Synonyms
- N-isopentanoyl-L-homoserine lactone
3D model of N-isovaleryl-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)
DUHWGLQNCKHNBY-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
SMILES (Click to copy)
C(C(C)C)C(=O)N[C@@H]1C(=O)OCC1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bradyrhizobium japonicum
(#375)
Alphaproteobacteria
(#28211)
Isovaleryl-homoserine lactone, an unusual branched-chain quorum-sensing signal from the soybean symbiont Bradyrhizobium japonicum.,
Proc Natl Acad Sci U S A, 2011
Proc Natl Acad Sci U S A, 2011
Pubmed ID:
21949379
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
183.99
Topological Polar Surface Area
57.47
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
1.04
Molar Refractivity
47.96
Admin
Created at
20th Nov 2020
Updated at
20th Nov 2020