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BioLiP

PDB CCD ID: R2K
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385[Na]OC(=O)CC(=O)O[Na]
OpenEye OEToolkits 2.0.7C(C(=O)O[Na])C(=O)O[Na]
Name:(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium
ChEMBL: CHEMBL359504
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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