Chemical Components in the PDB

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EGA : Summary

Code

EGA

One-letter code

X

Molecule name

ethyl beta-D-galactopyranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyl beta-D-galactopyranoside
OpenEye OEToolkits 1.7.6 (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula

C8 H16 O6

Formal charge

0

Molecular weight

208.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(CC)C1OC(C(O)C(O)C1O)CO
SMILES CACTVS 3.385 CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 CCOC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES CACTVS 3.385 CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

IUPAC InChI

InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m1/s1

IUPAC InChI key

WYUFTYLVLQZQNH-DWOUCZDBSA-N
EGA

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

GAL

Defined at

2014-05-22

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned