BioLiP

PDB

BioLiP

PDB CCD ID:

HTF

Number of entries in BioLiP:

Chemical formula:

C12 H21 N O3

InChI:

InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1

InChIKey:

JKEJEOJPJVRHMQ-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCC(=O)N[C@H]1CCOC1=O
ACDLabs 10.04	O=C1OCCC1NC(=O)CCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCC(=O)NC1CCOC1=O
CACTVS 3.341	CCCCCCCC(=O)N[CH]1CCOC1=O

Name:

N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE;
N-OCTANOYL-L-HOMOSERINE LACTONE

ChEMBL:

CHEMBL259352

DrugBank:

DB07928

ZINC:

ZINC000043617550

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).