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BioLiP

PDB CCD ID: U3H
Number of entries in BioLiP: 2
Chemical formula: C9 H17 N2 O14 P3
InChI: InChI=1S/C9H17N2O14P3/c12-6-3-5(23-8(6)11-2-1-7(13)10-9(11)14)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8-9,12,14H,3-4H2,(H,10,13)(H,18,19)(H,20,21)(H2,15,16,17)/t5-,6+,8+,9+/m0/s1
InChIKey: CVEDUOUYNXHQBA-HIORRCEOSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C=CC(=O)NC1O)C(O)C2
CACTVS 3.341O[C@@H]1C[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)N[C@H]2O
OpenEye OEToolkits 1.5.0C1C(OC(C1O)N2C=CC(=O)NC2O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
CACTVS 3.341O[CH]1C[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)N[CH]2O
OpenEye OEToolkits 1.5.0C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
Name:3'-DEOXY-URIDINE 5'-TRIPHOSPHATE
ZINC: ZINC000033821547
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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