BioLiP

PDB

BioLiP

PDB CCD ID:

A1AVA

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O5

InChI:

InChI=1S/C8H17NO5/c1-5(12)9-6(3-10)2-7(13)8(14)4-11/h6-8,10-11,13-14H,2-4H2,1H3,(H,9,12)/t6-,7+,8-/m1/s1

InChIKey:

LGGVICIJYZNZDM-GJMOJQLCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC(CC(C(CO)O)O)CO
OpenEye OEToolkits 2.0.7	CC(=O)N[C@H](C[C@@H]([C@@H](CO)O)O)CO
CACTVS 3.385	CC(=O)N[C@@H](CO)C[C@H](O)[C@H](O)CO
CACTVS 3.385	CC(=O)N[CH](CO)C[CH](O)[CH](O)CO
ACDLabs 12.01	OC(CC(NC(C)=O)CO)C(O)CO

Name:

2-acetamido-2,3-dideoxy-D-ribo-hexitol

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).