BioLiP

PDB

BioLiP

PDB CCD ID:

EAG

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O6

InChI:

InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1

InChIKey:

QCTRCKYGWQLWGS-VVULQXIFSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCN
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(OC1OCCN)CO)O)O
ACDLabs 10.04	O=C(NC1C(O)C(O)C(OC1OCCN)CO)C
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O
CACTVS 3.341	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCN

Name:

2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;
2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside;
2-AMINOETHYL N-ACETYL-D-GLUCOSAMINE;
2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucoside;
2-aminoethyl 2-acetamido-2-deoxy-D-glucoside;
2-aminoethyl 2-acetamido-2-deoxy-glucoside

ZINC:

ZINC000034523738

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).