BioLiP Library

BioLiP Library

PDB CCD ID:

BNG

Number of entries in BioLiP:

Chemical formula:

C15 H30 O6

InChI:

InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1

InChIKey:

QFAPUKLCALRPLH-UXXRCYHCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 1.5.0	CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
ACDLabs 10.04	O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO
CACTVS 3.341	CCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Name:

nonyl beta-D-glucopyranoside;
Beta-NONYLGLUCOSIDE;
nonyl beta-D-glucoside;
nonyl D-glucoside;
nonyl glucoside

ChEMBL:

CHEMBL490225

DrugBank:

DB02451

ZINC:

ZINC000015609263

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
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).

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