BioLiP

PDB

BioLiP

PDB CCD ID:

02J

Number of entries in BioLiP:

Chemical formula:

C5 H5 N O3

InChI:

InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)

InChIKey:

BNMPIJWVMVNSRD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c1noc(c1)C
CACTVS 3.370	Cc1onc(c1)C(O)=O
OpenEye OEToolkits 1.7.2	Cc1cc(no1)C(=O)O

Name:

5-methyl-1,2-oxazole-3-carboxylic acid

ZINC:

ZINC000000158679

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).