BioLiP

PDB

BioLiP

PDB CCD ID:

SOE

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1

InChIKey:

LKDRXBCSQODPBY-BGPJRJDNSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	OC1C(O)(OCC(O)C1O)CO
CACTVS 3.370	OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0	C1C(C(C(C(O1)(CO)O)O)O)O
OpenEye OEToolkits 1.7.0	C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O

Name:

alpha-L-sorbopyranose;
alpha-L-sorbose;
L-sorbose;
sorbose;
L-sorbose in pyranose form

ZINC:

ZINC000003861737

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).