BioLiP

PDB

BioLiP

PDB CCD ID:

KG7

Number of entries in BioLiP:

Chemical formula:

C3 H5 N O3

InChI:

InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+

InChIKey:

MVGBKLTYYAYYGY-DUXPYHPUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=NO)C(=O)O
OpenEye OEToolkits 2.0.6	C/C(=N\O)/C(=O)O
CACTVS 3.385	CC(=N\O)/C(O)=O
ACDLabs 12.01	O=C(O)\C(=N\O)C
CACTVS 3.385	CC(=NO)C(O)=O

Name:

(2E)-2-(hydroxyimino)propanoic acid

ChEMBL:

CHEMBL4091867

ZINC:

ZINC000012495959

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).