Molecule

N-decanoyl-L-homoserine lactone

AlkaPlorer ID: AK062578

Synonym: None

IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]decanamide

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

InChI: 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

InChIKey: TZWZKDULKILUPV-LBPRGKRZSA-N

PubChem CID: 10131281

CAS: 177315-87-6

LOTUS: LTS0185950

SuperNatural Ⅲ: SN0364668-01

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NPAtlas: NPA006245

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudomonas aeruginosa	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 255.358

TPSA？: 58.89000000000001

MolLogP？: 3.3991000000000016

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agrobacterium tumefaciens	Transcriptional activator protein traR	IC50	1050.0	nM	10.1021/jm901742e
Aliivibrio fischeri	Transcriptional activator protein luxR	IC50	400.0	nM	10.1021/jm901742e
Mus musculus	Mus musculus	IC50	33000.0	nM	10.1021/jm020909n
Pseudomonas aeruginosa	PhzR	Activity	104.0	%	10.1016/j.bmcl.2007.11.095
Pseudomonas aeruginosa	PhzR	EC50	6.0	nM	10.1016/j.bmcl.2007.11.095
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Transcriptional activator protein lasR	IC50	250.0	nM	10.1021/jm901742e
None	Unchecked	IC50	39.2	nM	10.1021/jm901742e
None	Unchecked	IC50	130.0	nM	10.1016/j.ejmech.2020.112252

AKRT ID	Reaction	Reaction Link ID
AKRT008472	CCCCCCCCCC(=O)N[C@H]1CCOC1=O>>CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O	enzymemap_54221
AKRT008473	CCCCCCCCCC(=O)N[C@H]1CCOC1=O>>CCCCCCCCCC(=O)O	enzymemap_54278
AKRT008474	CCCCCCCCCC(=O)N[C@H]1CCOC1=O>>CCCCCCCCCC(=O)O.N[C@H]1CCOC1=O	None
AKRT008475	CCCCCCCCCC(=O)N[C@H]1CCOC1=O>>N[C@H]1CCOC1=O	enzymemap_54278