BioLiP

PDB

BioLiP

PDB CCD ID:

KPG

Number of entries in BioLiP:

Chemical formula:

C6 H13 O10 P

InChI:

InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h3-6,8-12H,1H2,(H2,13,14,15)/t3-,4+,5+/m1/s1

InChIKey:

GGBBRMAUDBKNLU-WISUUJSJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0	C(C(=O)C(C(C(C(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370	OC(O)[CH](O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
CACTVS 3.370	OC(O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[P](O)(O)=O

Name:

[(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate

ZINC:

ZINC000098209084

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).