Molecule

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

AlkaPlorer ID: AK031736

Synonym: 'N-Hexanoyl-L-homoserine lactone'

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

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

InChI: 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

InChIKey: ZJFKKPDLNLCPNP-QMMMGPOBSA-N

PubChem CID: 10058590

LOTUS: LTS0003730

SuperNatural Ⅲ: SN0471868-01

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Azospirillum lipoferum	Azospirillum	Azospirillaceae	Rhodospirillales	Alphaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 199.25

TPSA？: 58.89000000000001

MolLogP？: 1.8387

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	EC50	10800.0	nM	10.1016/j.ejmech.2021.113864

AKRT ID	Reaction	Reaction Link ID
AKRT007894	CCCCCC(=O)N[C@@H](CCO)C(=O)O>>CCCCCC(=O)N[C@H]1CCOC1=O	None
AKRT007899	CCCCCC(=O)N[C@H]1CCOC1=O>>CCCCCC(=O)N[C@@H](CCO)C(=O)O	enzymemap_52169
AKRT007900	CCCCCC(=O)N[C@H]1CCOC1=O>>CCCCCC(=O)O	enzymemap_54280
AKRT007901	CCCCCC(=O)N[C@H]1CCOC1=O>>CCCCCC(=O)O.N[C@H]1CCOC1=O	None
AKRT007902	CCCCCC(=O)N[C@H]1CCOC1=O>>N[C@H]1CCOC1=O	enzymemap_54280