BioLiP

PDB

BioLiP

PDB CCD ID:

TT7

Number of entries in BioLiP:

Chemical formula:

C6 H13 O9 P

InChI:

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

InChIKey:

IPJUIZZQMKRPQG-ARQDHWQXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP(=O)(O)O)O
CACTVS 3.385	OC[CH]1O[C](O)(CO)[CH](O)[CH]1O[P](O)(O)=O
ACDLabs 12.01	OC1(OC(C(C1O)OP(=O)(O)O)CO)CO
OpenEye OEToolkits 2.0.7	C(C1C(C(C(O1)(CO)O)O)OP(=O)(O)O)O
CACTVS 3.385	OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[P](O)(O)=O

Name:

4-O-phosphono-beta-D-fructofuranose

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).