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BioLiP

PDB CCD ID: TLB
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N2 O9 P
InChI: InChI=1S/C11H15N2O9P/c1-5-2-13(10(15)12-8(5)14)9-7-11(16,4-20-7)6(22-9)3-21-23(17,18)19/h2,6-7,9,16H,3-4H2,1H3,(H,12,14,15)(H2,17,18,19)/t6-,7-,9-,11-/m1/s1
InChIKey: PZOSKPASRDLNLU-LUQPRHOASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CO3)([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[C]3(O)CO[CH]23)C(=O)NC1=O
CACTVS 3.341CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@]3(O)CO[C@H]23)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2C3C(CO3)(C(O2)COP(=O)(O)O)O
ACDLabs 10.04O=C1C(=CN(C(=O)N1)C3OC(C2(O)COC23)COP(=O)(O)O)C
Name:2'-O,3'-C-METHYLENE-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE
ZINC: ZINC000058633053
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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