BioLiP

PDB

BioLiP

PDB CCD ID:

K4G

Number of entries in BioLiP:

Chemical formula:

C18 H31 N O4

InChI:

InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1

InChIKey:

YQFJJDSGBAAUPW-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
CACTVS 3.385	CCCCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O
ACDLabs 12.01	C(CCCCCCCCC)CC(CC(NC1C(OCC1)=O)=O)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

Name:

3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide

ChEMBL:

CHEMBL8463

ZINC:

ZINC000038146043

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).