BioLiP

PDB

BioLiP

PDB CCD ID:

LTM

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O5

InChI:

InChI=1S/C8H14N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-7,11,13-14H,2H2,1H3,(H,9,12)(H,10,15)/t4-,5-,6-,7-/m1/s1

InChIKey:

DLGBPZFGIMUEIM-DBRKOABJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O
CACTVS 3.352	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)NC1=O
OpenEye OEToolkits 1.6.1	CC(=O)NC1C(C(C(NC1=O)CO)O)O
ACDLabs 10.04	O=C1NC(CO)C(O)C(O)C1NC(=O)C
CACTVS 3.352	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)NC1=O

Name:

N-ACETYL GLUCONOLACTAM

ZINC:

ZINC000095920947

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).