BioLiP

PDB

BioLiP

PDB CCD ID:

Z9M

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O8 P

InChI:

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

InChIKey:

QWDBGVNDGYUIAC-QZABAPFNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O
CACTVS 3.385	N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O
CACTVS 3.385	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O
ACDLabs 12.01	O=P(O)(O)OC1C(OC(O)C(N)C1O)CO

Name:

2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
4-O-phosphono-beta-D-glucosamine;
2-amino-2-deoxy-4-O-phosphono-beta-D-glucose;
2-amino-2-deoxy-4-O-phosphono-D-glucose;
2-amino-2-deoxy-4-O-phosphono-glucose

DrugBank:

DB02865

ZINC:

ZINC000005830009

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).