BioLiP

PDB

BioLiP

PDB CCD ID:

U9S

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+

InChIKey:

DCEMCPAKSGRHCN-XIXRPRMCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1O[CH]1C(O)=O
OpenEye OEToolkits 2.0.7	[C@@H]1([C@H](O1)C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)[C@H]1O[C@H]1C(O)=O
ACDLabs 12.01	C(C1C(O1)C(O)=O)(=O)O
OpenEye OEToolkits 2.0.7	C1(C(O1)C(=O)O)C(=O)O

Name:

(2R,3S)-oxirane-2,3-dicarboxylic acid;
cis-2,3-epoxysuccinic acid

ChEMBL:

CHEMBL1741775

ZINC:

ZINC000001675960

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).