BioLiP

PDB

BioLiP

PDB CCD ID:

EEN

Number of entries in BioLiP:

Chemical formula:

C8 H13 F2 N O6

InChI:

InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8+/m1/s1

InChIKey:

QWUDJWPZSGMAGG-WWHASAIZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(C1C(C(C(C(O1)O)NC(=O)C(F)F)O)O)O
CACTVS 3.385	OC[C@H]1O[C@H](O)[C@H](NC(=O)C(F)F)[C@@H](O)[C@H]1O
OpenEye OEToolkits 2.0.6	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O
CACTVS 3.385	OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O

Name:

2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose;
N-DIFLUOROACETYL-D-GALACTOSAMINE;
2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactose;
2-deoxy-2-[(difluoroacetyl)amino]-D-galactose;
2-deoxy-2-[(difluoroacetyl)amino]-galactose

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).