BioLiP

PDB

BioLiP

PDB CCD ID:

GDA

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O5

InChI:

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

InChIKey:

BXZVZSSSRTUQJP-VFUOTHLCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O
CACTVS 3.385	N[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO
CACTVS 3.385	N[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)O)N)O

Name:

4-amino-4-deoxy-beta-D-glucopyranose;
4-amino-4-deoxy-beta-D-glucose;
4-amino-4-deoxy-D-glucose;
4-amino-4-deoxy-glucose

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).