SEQ2FUN

BioLiP

PDB CCD ID: M5Q
Number of entries in BioLiP: 0
Chemical formula: C11 H18 N3 O8 P
InChI: InChI=1S/C11H18N3O8P/c1-5(22-23(17,18)19)8-7(15)9(20-2)10(21-8)14-4-3-6(12)13-11(14)16/h3-5,7-10,15H,1-2H3,(H2,12,13,16)(H2,17,18,19)/t5-,7+,8+,9+,10+/m0/s1
InChIKey: OBLDPPWBFVCFRR-BOHATCBPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)OC)O)OP(=O)(O)O
CACTVS 3.385CO[C@@H]1[C@H](O)[C@H](O[C@H]1N2C=CC(=NC2=O)N)[C@H](C)O[P](O)(O)=O
CACTVS 3.385CO[CH]1[CH](O)[CH](O[CH]1N2C=CC(=NC2=O)N)[CH](C)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(C1C(C(C(O1)N2C=CC(=NC2=O)N)OC)O)OP(=O)(O)O
Name:[(1S)-1-[(2S,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]ethyl] 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).