BioLiP

PDB

BioLiP

PDB CCD ID:

A1IDH

Number of entries in BioLiP:

Chemical formula:

C7 H9 N3 O4

InChI:

InChI=1S/C7H9N3O4/c11-6(12)2-1-5-3-10(9-8-5)4-7(13)14/h3H,1-2,4H2,(H,11,12)(H,13,14)

InChIKey:

RUQZPAOIZOWHEV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCc1cn(CC(O)=O)nn1
OpenEye OEToolkits 2.0.7	c1c(nnn1CC(=O)O)CCC(=O)O

Name:

3-[1-(2-oxidanylideneethyl)-1,2,3-triazol-4-yl]propanal

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).