BioLiP

PDB

BioLiP

PDB CCD ID:

SAY

Number of entries in BioLiP:

Chemical formula:

C12 H15 O8 P

InChI:

InChI=1S/C12H15O8P/c13-5-8-2-1-7(3-9(8)14)11-4-10(15)12(20-11)6-19-21(16,17)18/h1-3,5,10-12,14-15H,4,6H2,(H2,16,17,18)/t10-,11+,12+/m0/s1

InChIKey:

PCWRNNXGJWWYRH-QJPTWQEYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O
CACTVS 3.352	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2
CACTVS 3.352	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2
OpenEye OEToolkits 1.6.1	c1cc(c(cc1C2CC(C(O2)COP(=O)(O)O)O)O)C=O

Name:

[(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate;
2'-DEOXY-1'-(3-HYDROXY-4-FORMYLPHENYL)RIBOSE-5'-MONOPHOSPHATE

ZINC:

ZINC000098209393

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).