BioLiP

PDB

BioLiP

PDB CCD ID:

3M5

Number of entries in BioLiP:

Chemical formula:

C14 H23 N O4

InChI:

InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1

InChIKey:

KYGIKEQVUKTKRR-LBPRGKRZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O
OpenEye OEToolkits 1.7.6	CCCCCCCC(=O)CC(=O)NC1CCOC1=O
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
ACDLabs 12.01	O=C1OCCC1NC(=O)CC(=O)CCCCCCC

Name:

3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide;
N-(3-Oxodecanoyl)-L-homoserine lactone

ChEMBL:

CHEMBL8450

ZINC:

ZINC000042764477

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).