BioLiP

PDB

BioLiP

PDB CCD ID:

G63

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O3

InChI:

InChI=1S/C6H14N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6-/m1/s1

InChIKey:

GFTGLZPGRKFGDU-KVTDHHQDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6	C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N
CACTVS 3.385	N[CH]1CN[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6	C1C(C(C(C(N1)CO)O)O)N

Name:

mannose-alpha-1,3-2-aminodeoxymannojirimycin

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).