BioLiP

PDB

BioLiP

PDB CCD ID:

GDL

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O6

InChI:

InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1

InChIKey:

NELQYZRSPDCGRQ-DBRKOABJSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(OC1=O)CO)O)O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O
ACDLabs 10.04	O=C1OC(CO)C(O)C(O)C1NC(=O)C
CACTVS 3.341	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O

Name:

2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone;
2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE

DrugBank:

DB02813

ZINC:

ZINC000005438581

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).