BioLiP

PDB

BioLiP

PDB CCD ID:

L1L

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O8 P

InChI:

InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1

InChIKey:

YMJBYRVFGYXULK-QZABAPFNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
CACTVS 3.385	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(O)=O
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O

Name:

2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate;
2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;
2-amino-2-deoxy-1-O-phosphono-D-glucose;
2-amino-2-deoxy-1-O-phosphono-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).