SEQ2FUN

BioLiP

PDB CCD ID: HHU
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N3 O9 P
InChI: InChI=1S/C10H14N3O9P/c14-4-11-7-8(16)5(3-21-23(18,19)20)22-9(7)13-2-1-6(15)12-10(13)17/h1-2,4-5,7-9,16H,3H2,(H,11,14)(H,12,15,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
InChIKey: BVKBFAYJTMOFKA-ZOQUXTDFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@H]([C@@H]1NC=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.7C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)NC=O
OpenEye OEToolkits 2.0.7C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)NC=O
CACTVS 3.385O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1NC=O)N2C=CC(=O)NC2=O
Name:[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
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).