BioLiP

PDB

BioLiP

PDB CCD ID:

R2K

Number of entries in BioLiP:

Chemical formula:

C3 H2 Na2 O4

InChI:

InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2

InChIKey:

PRWXGRGLHYDWPS-UHFFFAOYSA-L

SMILES:

Software	SMILES
CACTVS 3.385	[Na]OC(=O)CC(=O)O[Na]
OpenEye OEToolkits 2.0.7	C(C(=O)O[Na])C(=O)O[Na]

Name:

(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium

ChEMBL:

CHEMBL359504

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).