Structure Database (LMSD)

Common Name
N-(3-oxo-octanoyl)-homoserine lactone
Systematic Name
N-(3-oxo-octanoyl)-homoserine lactone
Synonyms
  • N-(3-Oxooctanoyl)homoserine lactone
LM ID
LMFA08030004
Status
Active
Exact Mass
Calculate m/z
241.131409
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FXCMGCFNLNFLSH-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
SMILES (Click to copy)
C1[C@@H](C(=O)OC1)NC(=O)CC(=O)CCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Agrobacterium tumefaciens (#358)
Alphaproteobacteria (#28211)
Agrobacterium conjugation and gene regulation by N-acyl-L-homoserine lactones.,
Nature, 1993
Pubmed ID: 8464475

Other Databases

KEGG ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 242.04
Topological Polar Surface Area 74.54
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 1.53
Molar Refractivity 62.27

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Updated at
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