BioLiP

PDB

BioLiP

PDB CCD ID:

HT0

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O5

InChI:

InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1

InChIKey:

KNMHHKNPRPEAIG-HTQZYQBOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1NC(=O)O[CH]1c2ccc(O)cc2
CACTVS 3.385	OC(=O)[C@@H]1NC(=O)O[C@@H]1c2ccc(O)cc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2C(NC(=O)O2)C(=O)O)O
ACDLabs 12.01	O=C(O)C1NC(=O)OC1c1ccc(O)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@@H]2[C@@H](NC(=O)O2)C(=O)O)O

Name:

(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic 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).