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BioLiP

PDB CCD ID: OG6
Number of entries in BioLiP: 11
Chemical formula: C5 H6 N2 O4
InChI: InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)
InChIKey: DUGHQFVNXIWPEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(O)C1=CC(=O)NC(=O)N1
OpenEye OEToolkits 2.0.7C1=C(NC(=O)NC1=O)C(O)O
Name:6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione;
6-Formyl-uracil hydrate
ZINC: ZINC000039953727
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).
  • 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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