LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

N-decanoyl-homoserine lactone

Systematic Name

N-decanoyl-homoserine lactone

Synonyms

C10:0-HSL

LM ID

LMFA08030026

Formula

C₁₄H₂₅NO₃

Exact Mass

Calculate m/z

255.183444

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthesis of N-acyl homoserine lactone analogues reveals strong activators of SdiA, the Salmonella enterica serovar Typhimurium LuxR homologue,
Appl Environ Microbiol, 2007

Pubmed ID: 17085703

DOI: 10.1128/AEM.01451-06

String Representations

InChiKey (Click to copy)

TZWZKDULKILUPV-LBPRGKRZSA-N

InChi (Click to copy)

InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1

SMILES (Click to copy)

[C@@H]1(CCOC1=O)NC(=O)CCCCCCCCC

Other Databases

CHEBI ID

190815

PubChem CID

10131281

Cayman ID

10011201

PDB ID

HL0

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 1

Aromatic Rings 0

Rotatable Bonds 9

Van der Waals Molecular Volume 270.49

Topological Polar Surface Area 57.47

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 3.13

Molar Refractivity 71.12

Admin

Created at

1st Jul 2019

Updated at