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BioLiP

PDB CCD ID: T31
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N2 O8 P S
InChI: InChI=1/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1/f/h10,16,21H
InChIKey: NSEBKRRODBXALJ-NMPKEWRQDK
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@@](O)(S)=O)N2C=CC(=O)NC2=O
Name:THYMIDINE 5'-MONOTHIOPHOSPHATE
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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