BioLiP

PDB

BioLiP

PDB CCD ID:

CQX

Number of entries in BioLiP:

Chemical formula:

C18 H36 O7

InChI:

InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-23-11-12-24-18-17(22)16(21)15(20)14(13-19)25-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17+,18+/m1/s1

InChIKey:

VOSUWWUWOMLIMI-ZBRFXRBCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.385	CCCCCCCCCCOCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCOCCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.385	CCCCCCCCCCOCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

Name:

(2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;
3-Oxatridecyl-alpha-D-mannopyranoside

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).