BioLiP

PDB

BioLiP

PDB CCD ID:

7GW

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(12-2)6(10)11/h2-11H,1H2/t2-,3+,4+,5+/m0/s1

InChIKey:

IRLQCNDEPRBYOU-NRXMZTRTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O
OpenEye OEToolkits 2.0.6	C(C1C(C(C(O1)C(O)O)O)O)O
CACTVS 3.385	OC[CH]1O[CH](C(O)O)[CH](O)[CH]1O
CACTVS 3.385	OC[C@@H]1O[C@@H](C(O)O)[C@H](O)[C@@H]1O

Name:

(2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

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).