BioLiP

PDB

BioLiP

PDB CCD ID:

3CR

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O3

InChI:

InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8+

InChIKey:

PNTMGOUAICFJQK-CSKARUKUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(=NO)C(=O)O
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C/C(=N\O)/C(=O)O
CACTVS 3.385	O/N=C(Cc1ccccc1)/C(O)=O
CACTVS 3.385	ON=C(Cc1ccccc1)C(O)=O
ACDLabs 12.01	O=C(O)\C(=N\O)Cc1ccccc1

Name:

(2E)-2-(hydroxyimino)-3-phenylpropanoic 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).