SEQ2FUN

BioLiP

PDB CCD ID: BNG
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 1.5.0CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
ACDLabs 10.04O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO
CACTVS 3.341CCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.341CCCCCCCCCO[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, 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).