BioLiP

PDB

BioLiP

PDB CCD ID:

L4A

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O5

InChI:

InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13)

InChIKey:

PLUGCRBIUHQSBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCc1oc(CCO)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7	C(CO)c1c(nc(o1)CCO)C(=O)O
ACDLabs 12.01	c1(oc(c(n1)C(=O)O)CCO)CCO

Name:

2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid;
Clavulanic Acid, opened form

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).