SEQ2FUN

BioLiP

PDB CCD ID: FMU
Number of entries in BioLiP: 0
Chemical formula: C10 H16 F N2 O9 P
InChI: InChI=1S/C10H16FN2O9P/c1-10(11)3-13(9(17)12-8(10)16)7-6(15)5(14)4(22-7)2-21-23(18,19)20/h4-7,14-15H,2-3H2,1H3,(H,12,16,17)(H2,18,19,20)/t4-,5-,6-,7-,10+/m1/s1
InChIKey: MVSQIWGOIJYVSH-NVABTJCQSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1N(CC(F)(C(=O)N1)C)C2OC(C(O)C2O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC1(CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)F
CACTVS 3.341C[C@]1(F)CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O
OpenEye OEToolkits 1.5.0C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F
CACTVS 3.341C[C]1(F)CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O
Name:5-FLUORO-5-METHYLURIDINE-5'-MONOPHOSPHATE
ZINC: ZINC000058638354
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).