BioLiP

PDB

BioLiP

PDB CCD ID:

54I

Number of entries in BioLiP:

Chemical formula:

C3 H5 N O3

InChI:

InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+

InChIKey:

XTKKYEXSKPSWOJ-DUXPYHPUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O\N=C\CC(O)=O
OpenEye OEToolkits 2.0.7	C(/C=N/O)C(=O)O
ACDLabs 12.01	O=C(O)C\C=N\O
CACTVS 3.385	ON=CCC(O)=O
OpenEye OEToolkits 2.0.7	C(C=NO)C(=O)O

Name:

(3E)-3-(hydroxyimino)propanoic 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).