BioLiP

PDB

BioLiP

PDB CCD ID:

A1H36

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c8-6-4-1-7-2-5(6)9-3-4/h4-8H,1-3H2/t4-,5-,6+/m1/s1

InChIKey:

TWEISKJFQUHRBG-PBXRRBTRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@@H]2CO[C@@H]([C@H]2O)CN1
OpenEye OEToolkits 2.0.7	C1C2COC(C2O)CN1
CACTVS 3.385	O[C@H]1[C@@H]2CNC[C@H]1OC2
CACTVS 3.385	O[CH]1[CH]2CNC[CH]1OC2

Name:

(1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol;
ADG-IF (3,6-anhydro-D-galacto-isofagomine)

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).