SEQ2FUN

BioLiP

PDB CCD ID: D33
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N2 O6 P
InChI: InChI=1S/C8H13N2O6P/c11-6-3-8(10-2-1-9-5-10)16-7(6)4-15-17(12,13)14/h1-2,5-8,11H,3-4H2,(H2,12,13,14)/t6-,7+,8+/m0/s1
InChIKey: YJJFDZQLJDAGPJ-XLPZGREQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cn(cn1)C2CC(C(O2)COP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OCC2OC(n1cncc1)CC2O
OpenEye OEToolkits 1.5.0c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2ccnc2
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccnc2
Name:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole
ZINC: ZINC000058638439
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).