Structure Database (LMSD)

Common Name
N-butanoyl-l-homoserine lactone
Systematic Name
N-butanoyl-l-homoserine lactone
Synonyms
  • N-Butyrylhomoserine lactone
  • C4:0-HSL
LM ID
LMFA08030002
Formula
C8H13NO3
Exact Mass
Calculate m/z
171.089544
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Fatty acyl homoserine lactones [FA0803]

String Representations

InChiKey (Click to copy)
VFFNZZXXTGXBOG-LURJTMIESA-N
InChi (Click to copy)
InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudomonas aeruginosa (#287)
Gammaproteobacteria (#1236)
A second N-acylhomoserine lactone signal produced by Pseudomonas aeruginosa,
Proc Natl Acad Sci U S A., 1995
Pubmed ID: 7878006

Other Databases

KEGG ID
C11837
CHEBI ID
177513
PubChem CID
443433
Cayman ID
10007898
PDB ID
HL4

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings
Rotatable Bonds 3
Van der Waals Molecular Volume 166.69
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 0.79
Molar Refractivity 43.42

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Created at
-
Updated at
2nd Aug 2021