BioLiP

PDB

BioLiP

PDB CCD ID:

NBG

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O6

InChI:

InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1

InChIKey:

IBONACLSSOLHFU-JAJWTYFOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341	CC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04	O=C(NC1OC(C(O)C(O)C1O)CO)C
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(C(O1)CO)O)O)O

Name:

N-acetyl-beta-D-glucopyranosylamine;
1-N-ACETYL-BETA-D-GLUCOSAMINE;
N-acetyl-beta-D-glucosylamine;
N-acetyl-D-glucosylamine;
N-acetyl-glucosylamine

ChEMBL:

CHEMBL335315

DrugBank:

DB02320

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).