BioLiP

PDB

BioLiP

PDB CCD ID:

JU7

Number of entries in BioLiP:

Chemical formula:

C18 H34 O6

InChI:

InChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1

InChIKey:

IKXDBGTYPHAFNV-UYTYNIKBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH]1O[CH](OCCCCCCC2CCCCC2)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6	C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
OpenEye OEToolkits 2.0.6	C1CCC(CC1)CCCCCCOC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.385	OC[C@H]1O[C@@H](OCCCCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	C1(C(C(C(OC1OCCCCCCC2CCCCC2)CO)O)O)O

Name:

6-cyclohexylhexyl beta-D-glucopyranoside

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).