BioLiP

PDB

BioLiP

PDB CCD ID:

3YW

Number of entries in BioLiP:

Chemical formula:

C11 H21 N O8

InChI:

InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1

InChIKey:

BURZSZGRQNCGQJ-KEWAQLPFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)CO
OpenEye OEToolkits 1.9.2	CC(=O)NC1C(C(C(OC1OCC(CO)O)CO)O)O
OpenEye OEToolkits 1.9.2	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O
ACDLabs 12.01	O=C(NC1C(O)C(O)C(OC1OCC(O)CO)CO)C
CACTVS 3.385	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](O)CO

Name:

(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside;
(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside;
(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucoside;
(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-D-glucoside;
(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-glucoside

ZINC:

ZINC000220951411

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).