BioLiP

PDB

BioLiP

PDB CCD ID:

44S

Number of entries in BioLiP:

Chemical formula:

C6 H13 O8 P

InChI:

InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1

InChIKey:

YKPKUODDXPUHGL-KVTDHHQDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1C[CH](O)[CH](O1)[CH](O)CO[P](O)(O)=O
CACTVS 3.385	O[C@H]1C[C@@H](O)[C@@H](O1)[C@H](O)CO[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)OCC(O)C1OC(O)CC1O
OpenEye OEToolkits 1.7.6	C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O
OpenEye OEToolkits 1.7.6	C1C(C(OC1O)C(COP(=O)(O)O)O)O

Name:

2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose;
tagatose-6-phosphate, bound form;
2-deoxy-6-O-phosphono-beta-D-lyxo-hexose;
2-deoxy-6-O-phosphono-D-lyxo-hexose;
2-deoxy-6-O-phosphono-lyxo-hexose

ZINC:

ZINC000263621282

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).