Structure Database (LMSD)

Common Name
N-(dodecanoyl)-homoserine lactone
Systematic Name
N-(dodecanoyl)-homoserine lactone
Synonyms
  • C12-HSL
LM ID
LMFA08030014
Formula
Exact Mass
Calculate m/z
283.214744
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
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
Pubmed ID: 12270827

String Representations

InChiKey (Click to copy)
WILLZMOKUUPJSL-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CCCCCCCCCCC

Other Databases

PubChem CID
Cayman ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 305.09
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.91
Molar Refractivity 80.35

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Updated at
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