BioLiP

PDB

BioLiP

PDB CCD ID:

E5G

Number of entries in BioLiP:

Chemical formula:

C11 H22 O7

InChI:

InChI=1S/C11H22O7/c12-4-2-1-3-5-17-11-10(16)9(15)8(14)7(6-13)18-11/h7-16H,1-6H2/t7-,8-,9+,10-,11+/m1/s1

InChIKey:

TUXAGTBBQDBLQC-NZFPMDFQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CCO)CCOC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 1.7.6	C(CCO)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.370	OCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.370	OCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 12.01	O(CCCCCO)C1OC(C(O)C(O)C1O)CO

Name:

5-hydroxypentyl alpha-D-glucopyranoside;
5-hydroxypentyl alpha-D-glucoside;
5-hydroxypentyl D-glucoside;
5-hydroxypentyl glucoside

ZINC:

ZINC000098208817

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).