BioLiP

PDB

BioLiP

PDB CCD ID:

VGU

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O3

InChI:

InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+

InChIKey:

FOKIIJXZYLWKMI-UXBLZVDNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)N=CC(=O)NO
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)/N=C/C(=O)NO
ACDLabs 12.01	O=C(/N=C/C(=O)NO)c1ccccc1
CACTVS 3.385	ONC(=O)C=NC(=O)c1ccccc1

Name:

N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide

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).