BioLiP

PDB

BioLiP

PDB CCD ID:

ZI2

Number of entries in BioLiP:

Chemical formula:

C13 H24 N2 O7

InChI:

InChI=1S/C13H24N2O7/c1-7(17)15-11-12(18)10(14)9(4-16)22-13(11)21-6-8-5-19-2-3-20-8/h8-13,16,18H,2-6,14H2,1H3,(H,15,17)/t8-,9+,10+,11+,12-,13+/m0/s1

InChIKey:

WHUIOPAZXMZGEJ-ZSIRSIGDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)N)O
CACTVS 3.385	CC(=O)N[CH]1[CH](O)[CH](N)[CH](CO)O[CH]1OC[CH]2COCCO2
CACTVS 3.385	CC(=O)N[C@@H]1[C@@H](O)[C@H](N)[C@@H](CO)O[C@H]1OC[C@@H]2COCCO2
OpenEye OEToolkits 2.0.7	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2COCCO2)CO)N)O
ACDLabs 12.01	CC(=O)NC1C(O)C(N)C(CO)OC1OCC1COCCO1

Name:

[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside

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).