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EEQ : Summary

Code

EEQ

One-letter code

X

Molecule name

2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

Formula

C8 H14 F N O6

Formal charge

0

Molecular weight

239.198 Da

SMILES

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

IUPAC 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

IUPAC InChI key

LMPCEKTVFVQIPT-VDUCJHRSSA-N
EEQ

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

A2G

Defined at

2018-03-16

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned