SEQ2FUN

BioLiP

PDB CCD ID: FHU
Number of entries in BioLiP: 0
Chemical formula: C9 H14 F N2 O10 P
InChI: InChI=1S/C9H14FN2O10P/c10-9(6(15)11-8(17)12-7(9)16)5-4(14)3(13)2(22-5)1-21-23(18,19)20/h2-6,13-15H,1H2,(H2,18,19,20)(H2,11,12,16,17)/t2-,3-,4-,5-,6-,9+/m1/s1
InChIKey: MDODZQNHCLANBT-ZTZBTGHISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[C@H]1NC(=O)NC(=O)[C@]1(F)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
ACDLabs 10.04O=P(OCC1OC(C(O)C1O)C2(F)C(=O)NC(=O)NC2O)(O)O
CACTVS 3.341O[CH]1NC(=O)NC(=O)[C]1(F)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)C2(C(NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O
Name:(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE-5'-MONOPHOSPHATE
ZINC: ZINC000058633485
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).