LIPID MAPS

Structure Database (LMSD)

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Common Name

N-hexanoyl-homoserine lactone

Systematic Name

N-hexanoyl-homoserine lactone

Synonyms

C6:0-HSL

LM ID

LMFA08030025

Formula

C₁₀H₁₇NO₃

Exact Mass

Calculate m/z

199.120844

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bosea massiliensis (#151419)

Alphaproteobacteria (#28211)

Characterization of N-Acylhomoserine Lactones Produced by Bacteria Isolated from Industrial Cooling Water Systems.,
Sensors (Basel), 2015

Pubmed ID: 26729121

DOI: 10.3390/s16010044

String Representations

InChiKey (Click to copy)

ZJFKKPDLNLCPNP-QMMMGPOBSA-N

InChi (Click to copy)

InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1

SMILES (Click to copy)

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

Other Databases

CHEBI ID

181934

PubChem CID

10058590

Cayman ID

10007896

PDB ID

HL6

Calculated Physicochemical Properties

Heavy Atoms 14

Rings 1

Aromatic Rings 0

Rotatable Bonds 5

Van der Waals Molecular Volume 201.29

Topological Polar Surface Area 57.47

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 1.57

Molar Refractivity 52.65

Admin

Created at

1st Jul 2019

Updated at