Molecule

3-Aminodihydro-2(3H)-furanone; (S)-form, N-(3-Oxohexanoyl)

AlkaPlorer ID: AK285029

Synonym: N-(3-Oxohexanoyl)homoserine lactone, 3-Oxo-C6-HSL, VAI

IUPAC Name: 3-oxo-N-(2-oxooxolan-3-yl)hexanamide

SMILES: CCCC(=O)CC(O)=NC1CCOC1=O

InChI: InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)

InChIKey: YRYOXRMDHALAFL-UHFFFAOYSA-N

PubChem CID: 119133

CAS: 143537-62-6

LOTUS: LTS0186832

COCONUT: CNP0158114.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
None	Erwinia	Erwiniaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Pseudomonas aeruginosa	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 213.23299999999995

TPSA？: 75.96000000000001

MolLogP？: 1.0177

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	Concentration	0.2	uM	10.1016/s0960-894x(02)00124-5

AKRT ID	Reaction	Reaction Link ID
AKRT007364	CCCC(=O)CC(=O)NC1CCOC1=O>>CCCC(=O)CC(=O)NC(CCO)C(=O)O	enzymemap_52147
AKRT007365	CCCC(=O)CC(=O)NC1CCOC1=O>>CCCC(=O)CC(=O)O	enzymemap_78288
AKRT007366	CCCC(=O)CC(=O)NC1CCOC1=O>>CCCC(=O)CC(=O)O.N[C@H]1CCOC1=O	None
AKRT007367	CCCC(=O)CC(=O)NC1CCOC1=O>>N[C@H]1CCOC1=O	enzymemap_78288