BioLiP

PDB

BioLiP

PDB CCD ID:

XKJ

Number of entries in BioLiP:

Chemical formula:

C18 H36 O6

InChI:

InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1

InChIKey:

PYIDGJJWBIBVIA-UYTYNIKBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.385	CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Name:

dodecyl beta-D-glucopyranoside

ChEMBL:

CHEMBL4068837

ZINC:

ZINC000095713698

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).