BioLiP

PDB

BioLiP

PDB CCD ID:

4QY

Number of entries in BioLiP:

Chemical formula:

C8 H16 N O9 P

InChI:

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

InChIKey:

BRGMHAYQAZFZDJ-FMDGEEDCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2	CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.9.2	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O
ACDLabs 12.01	C1(NC(C)=O)C(OC(C(C1O)O)COP(=O)(O)O)O
CACTVS 3.385	CC(=O)N[C@H]1[C@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O

Name:

2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose;
beta-N-acetylglucosamine-6-phosphate;
N-acetyl-6-O-phosphono-beta-D-glucosamine;
2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucose;
2-acetamido-2-deoxy-6-O-phosphono-D-glucose;
2-acetamido-2-deoxy-6-O-phosphono-glucose

ZINC:

ZINC000004097101

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).