BioLiP

PDB

BioLiP

PDB CCD ID:

UEA

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4+,5-,6-/m1/s1

InChIKey:

RFSUNEUAIZKAJO-JGWLITMVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.385	OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.385	OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H]1O
ACDLabs 12.01	OC1(C(C(C(O1)CO)O)O)CO

Name:

beta-D-sorbofuranose;
beta-D-sorbose;
D-sorbose;
sorbose

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).