Structure Database (LMSD)

Common Name
N-(3-oxododecanoyl) homoserine lactone
Systematic Name
N-(3-oxododecanoyl) homoserine lactone
Synonyms
LM ID
LMFA08030001
Status
Active
Exact Mass
Calculate m/z
297.194009
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)
PHSRRHGYXQCRPU-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
SMILES (Click to copy)
N([C@H]1CCOC1=O)C(CC(=O)CCCCCCCCC)=O

References

Reference
Structure of the autoinducer required for expression of Pseudomonas aeruginosa virulence genes
Proc Natl Acad Sci U S A. 1994
10.1073/pnas.91.1.197
8278364

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudomonas aeruginosa (#287)
Gammaproteobacteria (#1236)
Structure of the autoinducer required for expression of Pseudomonas aeruginosa virulence genes,
Proc Natl Acad Sci U S A., 1994
Pubmed ID: 8278364

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 311.24
Topological Polar Surface Area 74.54
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.09
Molar Refractivity 80.74

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Created at
-
Updated at
17th Nov 2020