BioLiP

PDB

BioLiP

PDB CCD ID:

GYV

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O7

InChI:

InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1

InChIKey:

BMFDLZBABRHLIB-FMDGEEDCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(=O)NC1C(C(C(OC1OC(=O)N)CO)O)O
CACTVS 3.352	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC(N)=O
CACTVS 3.352	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC(N)=O
OpenEye OEToolkits 1.6.1	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O
ACDLabs 10.04	O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N

Name:

2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose;
2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE;
2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucose;
2-acetamido-1-O-carbamoyl-2-deoxy-D-glucose;
2-acetamido-1-O-carbamoyl-2-deoxy-glucose

ZINC:

ZINC000058627019

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).