BioLiP

PDB

BioLiP

PDB CCD ID:

GN4

Number of entries in BioLiP:

Chemical formula:

C8 H16 N O9 P

InChI:

InChI=1S/C8H16NO9P/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1

InChIKey:

DHZPCJWLUQMUPF-FMDGEEDCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O
ACDLabs 12.01	O=C(C)NC1C(O)OC(C(C1O)OP(O)(O)=O)CO
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O
OpenEye OEToolkits 2.0.6	CC(=O)NC1C(C(C(OC1O)CO)OP(=O)(O)O)O
CACTVS 3.385	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O

Name:

2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
2-(acetylamino)-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucose;
2-acetamido-2-deoxy-4-O-phosphono-D-glucose;
2-acetamido-2-deoxy-4-O-phosphono-glucose

ZINC:

ZINC000584623951

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).