BioLiP

PDB

BioLiP

PDB CCD ID:

IO9

Number of entries in BioLiP:

Chemical formula:

C5 H6 O6

InChI:

InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1

InChIKey:

WXSKVKPSMAHCSG-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H](CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(C(C(=O)O)O)C(=O)C(=O)O
CACTVS 3.385	O[CH](CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C([C@H](C(=O)O)O)C(=O)C(=O)O

Name:

(2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid

ZINC:

ZINC000001532865

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).