SEQ2FUN

BioLiP

PDB CCD ID: PYY
Number of entries in BioLiP: 0
Chemical formula: C11 H15 O7 P
InChI: InChI=1S/C11H15O7P/c12-9-8(6-17-19(14,15)16)18-11(10(9)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/t8-,9-,10-,11+/m1/s1
InChIKey: UQFRVRKERMOLHL-DBIOUOCHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2C(C(C(O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=P(OCC2OC(c1ccccc1)C(O)C2O)(O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2ccccc2
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)c2ccccc2
Name:D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE
ZINC: ZINC000058638770
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).