BioLiP

PDB

BioLiP

PDB CCD ID:

L6N

Number of entries in BioLiP:

Chemical formula:

C7 H14 O6

InChI:

InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1

InChIKey:

QWJKEQVWXSYDJA-XUUWZHRGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COCC1C(C(C(C(O1)O)O)O)O
CACTVS 3.385	COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7	COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.385	COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O

Name:

(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol

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).