BioLiP

PDB

BioLiP

PDB CCD ID:

EPO

Number of entries in BioLiP:

Chemical formula:

C4 H4 O5

InChI:

InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1

InChIKey:

DCEMCPAKSGRHCN-JCYAYHJZSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)[C@@H]1O[C@H]1C(O)=O
ACDLabs 12.01	O=C(O)C1OC1C(=O)O
CACTVS 3.370	OC(=O)[CH]1O[CH]1C(O)=O
OpenEye OEToolkits 1.7.0	[C@@H]1(C(O1)C(=O)O)C(=O)O
OpenEye OEToolkits 1.7.0	C1(C(O1)C(=O)O)C(=O)O

Name:

(2R,3R)-oxirane-2,3-dicarboxylic acid

ZINC:

ZINC000000901749

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).