BioLiP

PDB

BioLiP

PDB CCD ID:

482

Number of entries in BioLiP:

Chemical formula:

C10 H15 N O4

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)/t8-/m0/s1

InChIKey:

YRYOXRMDHALAFL-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCCC(=O)CC(=O)NC1CCOC1=O
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CCCC(=O)CC(=O)N[C@H]1CCOC1=O
CACTVS 3.385	CCCC(=O)CC(=O)N[CH]1CCOC1=O
ACDLabs 12.01	O=C1OCCC1NC(=O)CC(=O)CCC

Name:

3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide

ChEMBL:

CHEMBL458201

ZINC:

ZINC000000057382

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).