BioLiP

PDB

BioLiP

PDB CCD ID:

YZ0

Number of entries in BioLiP:

Chemical formula:

C7 H14 O6

InChI:

InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1

InChIKey:

HOVAGTYPODGVJG-ULQPCXBYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 12.01	OC1C(O)C(O)C(OC1OC)CO
CACTVS 3.370	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	COC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 1.7.6	CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Name:

methyl beta-D-mannopyranoside

ChEMBL:

CHEMBL4117365

ZINC:

ZINC000005998341

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).