BioLiP

PDB

BioLiP

PDB CCD ID:

OHN

Number of entries in BioLiP:

Chemical formula:

C16 H27 N O4

InChI:

InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1

InChIKey:

PHSRRHGYXQCRPU-AWEZNQCLSA-N

SMILES:

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

Name:

N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE

ChEMBL:

CHEMBL8483

DrugBank:

DB08324

ZINC:

ZINC000008436851

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).