BioLiP

PDB

BioLiP

PDB CCD ID:

J5B

Number of entries in BioLiP:

Chemical formula:

C10 H20 O7

InChI:

InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+/m1/s1

InChIKey:

IQTXPPTUXXJFDH-JQRWTQJCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(CCOC1C(C(C(C(O1)CO)O)O)O)O
CACTVS 3.385	C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6	C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
CACTVS 3.385	C[C@@H](O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Name:

(3R)-3-hydroxybutyl alpha-D-glucopyranoside;
(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol;
reacted 3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE;
(3R)-3-hydroxybutyl alpha-D-glucoside;
(3R)-3-hydroxybutyl D-glucoside;
(3R)-3-hydroxybutyl glucoside

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).