Structure Database (LMSD)

Common Name
N-heptanoyl-homoserine lactone
Systematic Name
N-heptanoyl-homoserine lactone
Synonyms
  • N-Heptanoylhomoserine lactone
LM ID
LMFA08030006
Status
Active
Exact Mass
Calculate m/z
213.136494
Formula
C11H19NO3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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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)
FTMZLSDESAOPSZ-VIFPVBQESA-N
InChi (Click to copy)
InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
SMILES (Click to copy)
[C@H]1(C(OCC1)=O)NC(=O)CCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhizobium leguminosarum (#384)
Alphaproteobacteria (#28211)
Aryl-homoserine lactone quorum sensing in stem-nodulating photosynthetic bradyrhizobia,
Proc Natl Acad Sci U S A, 2019
Pubmed ID: 10931307

Other Databases

KEGG ID
C11844
CHEBI ID
29644
PubChem CID
443437
Cayman ID
10011198

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 218.59
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 1.96
Molar Refractivity 57.27

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Updated at
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