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Chemical structure of N-3-oxo-dodecanoyl-L-Homoserine lactone

GC17279

N-3-oxo-dodecanoyl-L-Homoserine lactone

Also known as 3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

N-3-oxo-dodecanoyl-L-Homoserine lactone (3-oxo-C12-HSL), as a quorum-sensing (QS) molecule produced by Gram-negative bacteria in the gastrointestinal tract, is a major inducer of oxidative stress indicated by a high level of intracellular reactive oxygen species (ROS)

ChemicalCAS168982-69-2MW297.4FormulaC16H27NO4
CAS number
168982-69-2
Molecular weight
297.4
Formula
C16H27NO4
Solubility
≤20mg/ml in DMSO;20mg/ml in dimethyl formamide
InChIKey
PHSRRHGYXQCRPU-AWEZNQCLSA-N
Catalogue number
GC17279
Brand
GLPBIO
Computed properties PubChem CID 3246941 · XLogP 4.1 · TPSA 72.5 Ų · H-bond donors 1
XLogP
4.1
TPSA
72.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
21

SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

Computed descriptors from PubChem (CID 3246941), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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