Molecule

N-(3-oxodecanoyl)-L-homoserine lactone

AlkaPlorer ID: AK050516

Synonym: None

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

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

InChI: InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1

InChIKey: KYGIKEQVUKTKRR-LBPRGKRZSA-N

PubChem CID: 10221060

LOTUS: LTS0177672

SuperNatural Ⅲ: SN0198651-01

{

NPAtlas: NPA013225

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
bacterium	None	None	None	None	None	None	Bacteria

Molecule Weight: 269.34099999999995

TPSA？: 75.96000000000001

MolLogP？: 2.578100000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Human immunodeficiency virus 1	Human immunodeficiency virus 1	IC50	65000.0	nM	10.1021/jm020909n
Human immunodeficiency virus 1	Human immunodeficiency virus 1	IC50	130000.0	nM	10.1021/jm020909n
Human immunodeficiency virus 1	Human immunodeficiency virus 1	IC50	nan	None	10.1021/jm020909n
Mus musculus	Mus musculus	IC50	21000.0	nM	10.1021/jm020909n
Mus musculus	P388	Activity	107.7	%	10.1016/j.bmcl.2006.01.054
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Transcriptional activator protein lasR	EC50	15.0	nM	10.1021/jm901742e

AKRT ID	Reaction	Reaction Link ID
AKRT008069	CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O>>CCCCCCCC(=O)CC(=O)N[C@@H](CCO)C(=O)O	enzymemap_52130
AKRT008070	CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O>>CCCCCCCC(=O)CC(=O)O	enzymemap_78262
AKRT008071	CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O>>CCCCCCCC(=O)CC(=O)O.N[C@H]1CCOC1=O	None
AKRT008072	CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O>>N[C@H]1CCOC1=O	enzymemap_78262
AKRT008076	CCCCCCCC(=O)CC(O)=N[C@@H](CCO)C(=O)O>>CCCCCCCC(=O)CC(O)=N[C@H]1CCOC1=O	MNXR132167