BioLiP

PDB

BioLiP

PDB CCD ID:

M9I

Number of entries in BioLiP:

Chemical formula:

C13 H17 N O5

InChI:

InChI=1S/C13H17NO5/c1-7-9(15)10(16)11(17)13(19-7)14-12(18)8-5-3-2-4-6-8/h2-7,9-11,13,15-17H,1H3,(H,14,18)/t7-,9+,10+,11-,13+/m0/s1

InChIKey:

ZYWNMRPOYLXAAW-HTUCIKCGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)NC(=O)c2ccccc2)O)O)O
CACTVS 3.385	C[C@@H]1O[C@@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)NC(=O)c2ccccc2)O)O)O

Name:

N-(alpha-L-Fucopyranosyl)benzamide;
~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide

ChEMBL:

CHEMBL5172593

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).