BioLiP

PDB

BioLiP

PDB CCD ID:

A1H2X

Number of entries in BioLiP:

Chemical formula:

C6 H10 O6

InChI:

InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5+,6+/m1/s1

InChIKey:

APIQNBNBIICCON-PUZYILPLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@H]1O[C@H](O)[C@H](O)C(=O)[C@@H]1O
CACTVS 3.385	OC[CH]1O[CH](O)[CH](O)C(=O)[CH]1O
OpenEye OEToolkits 2.0.7	C(C1C(C(=O)C(C(O1)O)O)O)O
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H](C(=O)[C@H]([C@H](O1)O)O)O)O

Name:

(2~{R},3~{R},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-one

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).