Molecule

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

AlkaPlorer ID: AK285001

Synonym: N-Dodecanoylhomoserine lactone, N-Lauroylhomoserine lactone, C12-HSL

IUPAC Name: N-(2-oxooxolan-3-yl)dodecanamide

SMILES: CCCCCCCCCCCC(O)=NC1CCOC1=O

InChI: InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)

InChIKey: WILLZMOKUUPJSL-UHFFFAOYSA-N

PubChem CID: 11565426

CAS: 137173-46-7

LOTUS: LTS0151566

COCONUT: CNP0347855.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sinorhizobium meliloti	Sinorhizobium	Rhizobiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
Methylobacterium mesophilicum	Methylobacterium	Methylobacteriaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 283.412

TPSA？: 58.89000000000001

MolLogP？: 4.179300000000002

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT008525	CCCCCCCCCCCC(=O)NC1CCOC1=O>>CCCCCCCCCCCC(=O)NC(CCO)C(=O)O	enzymemap_52149
AKRT008526	CCCCCCCCCCCC(=O)NC1CCOC1=O>>CCCCCCCCCCCC(=O)O	enzymemap_78273
AKRT008527	CCCCCCCCCCCC(=O)NC1CCOC1=O>>CCCCCCCCCCCC(=O)O.N[C@H]1CCOC1=O	None
AKRT008528	CCCCCCCCCCCC(=O)NC1CCOC1=O>>NC1CCOC1=O	enzymemap_78273
AKRT008529	CCCCCCCCCCCC(=O)NC1CCOC1=O>>N[C@H]1CCOC1=O	enzymemap_78293