BioLiP

PDB

BioLiP

PDB CCD ID:

A1H38

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c8-4-1-7-3-2-10-6(4)5(3)9/h3-9H,1-2H2

InChIKey:

WVZIAVGWQFETLH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H]1CN[C@@H]2CO[C@@H]1[C@H]2O
CACTVS 3.385	O[CH]1CN[CH]2CO[CH]1[CH]2O
OpenEye OEToolkits 2.0.7	C1C(C2C(C(N1)CO2)O)O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@@H]2[C@H]([C@H](N1)CO2)O)O

Name:

(1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol;
AD-DGJ;
3,6-anhydro-D-1-deoxygalactonojirimycin

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).