BioLiP

PDB

BioLiP

PDB CCD ID:

HL0

Number of entries in BioLiP:

Chemical formula:

C14 H25 N O3

InChI:

InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1

InChIKey:

TZWZKDULKILUPV-LBPRGKRZSA-N

SMILES:

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

Name:

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

ChEMBL:

CHEMBL8799

ZINC:

ZINC000042764633

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).