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BioLiP

PDB CCD ID: UZR
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N5 O8 P
InChI: InChI=1S/C9H12N5O8P/c10-13-12-6-7(16)4(3-21-23(18,19)20)22-8(6)14-2-1-5(15)11-9(14)17/h1-2,4,6-8,10,16H,3H2,(H2-,11,15,17,18,19,20)/p+1/t4-,6-,7-,8-/m1/s1
InChIKey: FKBDCNLBVFTTRL-XVFCMESISA-O
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(\N=[N+]=[N@H])C2O
CACTVS 3.370O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@H]([C@@H]1N=[N+]=N)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.2C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N=[N+]=N
OpenEye OEToolkits 1.7.2C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N
CACTVS 3.370O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1N=[N+]=N)N2C=CC(=O)NC2=O
Name:2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate
ZINC: ZINC000098209516
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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