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BioLiP

PDB CCD ID: IUP
Number of entries in BioLiP: 3
Chemical formula: C5 H4 N4 O5
InChI: InChI=1S/C5H4N4O5/c10-2-5(14-13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1
InChIKey: XHKXPKDICPOLRC-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C12=NC(=O)NC1(C(=O)NC(=O)N2)OO
CACTVS 3.385OO[C@@]12NC(=O)N=C1NC(=O)NC2=O
ACDLabs 12.01O=C2N=C1NC(=O)NC(=O)C1(OO)N2
OpenEye OEToolkits 1.7.6C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO
CACTVS 3.385OO[C]12NC(=O)N=C1NC(=O)NC2=O
Name:5-(HYDRO)PEROXOISOURATE
ZINC: ZINC000223254697
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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