BioLiP

PDB

BioLiP

PDB CCD ID:

HL4

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O3

InChI:

InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1

InChIKey:

VFFNZZXXTGXBOG-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.0	CCCC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.7.0	CCCC(=O)NC1CCOC1=O
ACDLabs 12.01	O=C1OCCC1NC(=O)CCC
CACTVS 3.370	CCCC(=O)N[CH]1CCOC1=O

Name:

N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide;
N-butyryl-L-homoserine lactone

ChEMBL:

CHEMBL207316

ZINC:

ZINC000004102230

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).