BioLiP

PDB

BioLiP

PDB CCD ID:

EEQ

Number of entries in BioLiP:

Chemical formula:

C8 H14 F N O6

InChI:

InChI=1S/C8H14FNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6+,7-,8+/m1/s1

InChIKey:

LMPCEKTVFVQIPT-VDUCJHRSSA-N

SMILES:

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

Name:

2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose;
2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide;
2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactose;
2-deoxy-2-[(fluoroacetyl)amino]-D-galactose;
2-deoxy-2-[(fluoroacetyl)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).