BioLiP

PDB

BioLiP

PDB CCD ID:

A1IMW

Number of entries in BioLiP:

Chemical formula:

C9 H20 N2 O5

InChI:

InChI=1S/C9H20N2O5/c10-1-3-14-5-7-16-8-6-15-4-2-11-9(12)13/h11H,1-8,10H2,(H,12,13)

InChIKey:

OAZZGQIDCIEELC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(COCCOCCOCCNC(=O)O)N
CACTVS 3.385	NCCOCCOCCOCCNC(O)=O

Name:

2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethylcarbamic 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).