BioLiP

PDB

BioLiP

PDB CCD ID:

FW2

Number of entries in BioLiP:

Chemical formula:

C6 H10 O6

InChI:

InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m1/s1

InChIKey:

WPAMZTWLKIDIOP-WUJLRWPWSA-N

SMILES:

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

Name:

L-2-keto-3deoxy-gluconate

ZINC:

ZINC000001532571

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).