BioLiP

PDB

BioLiP

PDB CCD ID:

F1P

Number of entries in BioLiP:

Chemical formula:

C6 H13 O9 P

InChI:

InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

InChIKey:

HXRNACQBNUPKDX-ARQDHWQXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(C(C(C(O1)(COP(=O)(O)O)O)O)O)O
CACTVS 3.341	O[CH]1CO[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O
ACDLabs 10.04	O=P(O)(O)OCC1(O)OCC(O)C(O)C1O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O
CACTVS 3.341	O[C@@H]1CO[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O

Name:

1-O-phosphono-beta-D-fructopyranose;
BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE;
((2R,3S,4R,5R)-TETRAHYDRO-2,3,4,5-TETRAHYDROXY-2H-PYRAN-2-YL)METHYL DIHYDROGEN PHOSPHATE;
1-O-phosphono-beta-D-fructose;
1-O-phosphono-D-fructose;
1-O-phosphono-fructose

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).