BioLiP

PDB

BioLiP

PDB CCD ID:

SOL

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

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

InChIKey:

BJHIKXHVCXFQLS-OTWZMJIISA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO
ACDLabs 12.01	O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.0	C(C(C(C(C(=O)CO)O)O)O)O
OpenEye OEToolkits 1.7.0	C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
CACTVS 3.370	OC[CH](O)[CH](O)[CH](O)C(=O)CO

Name:

L-sorbose

ChEMBL:

CHEMBL1615232

ZINC:

ZINC000090225648

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).