BioLiP

PDB

BioLiP

PDB CCD ID:

HL6

Number of entries in BioLiP:

Chemical formula:

C10 H17 N O3

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

SMILES:

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

Name:

N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide;
N-hexanoyl-L-homoserine lactone

ChEMBL:

CHEMBL1615000

ZINC:

ZINC000006655700

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).