BioLiP

PDB

BioLiP

PDB CCD ID:

VDS

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1

InChIKey:

AVVWPBAENSWJCB-AIECOIEWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(C1C(C(C(O1)O)O)O)O)O
CACTVS 3.385	OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	C1(O)C(C(CO)O)OC(C1O)O
OpenEye OEToolkits 2.0.7	C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O
CACTVS 3.385	OC[C@@H](O)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O

Name:

beta-D-allofuranose

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).