BioLiP

PDB

BioLiP

PDB CCD ID:

ELE

Number of entries in BioLiP:

Chemical formula:

C6 H11 O9 P

InChI:

InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1

InChIKey:

OVPRPPOVAXRCED-WVZVXSGGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H](CO[P](O)(O)=O)[C@@H](O)CC(=O)C(O)=O
OpenEye OEToolkits 2.0.6	C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
OpenEye OEToolkits 2.0.6	C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O
CACTVS 3.385	O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O

Name:

2-keto 3 deoxy 6 phospho gluconate

ChEMBL:

CHEMBL1162150

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).