BioLiP

PDB

BioLiP

PDB CCD ID:

ADG

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O5

InChI:

InChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1/fC6H14NO5/h7H/q+1

InChIKey:

BQCCAEOLPYCBAE-OBIIYFBIDX

SMILES:

Software	SMILES
ACDLabs 10.04	OC1C([NH3+])C(O)C(OC1O)CO
CACTVS 3.341	[NH3+][C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O
CACTVS 3.341	[NH3+][CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)[NH3+])O)O

Name:

O-3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSE

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).