BioLiP

PDB

BioLiP

PDB CCD ID:

90A

Number of entries in BioLiP:

Chemical formula:

C13 H25 N O7

InChI:

InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)

InChIKey:

QYCYVPYJQWWUNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NCCOCCOCCOCCOCCC(O)=O
OpenEye OEToolkits 2.0.6	CC(=O)NCCOCCOCCOCCOCCC(=O)O
ACDLabs 12.01	C(NC(C)=O)COCCOCCOCCOCCC(O)=O

Name:

2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid

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).