Chemical Components in the PDB

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8GA : Summary

Code

8GA

One-letter code

X

Molecule name

5-Se-methyl-5-seleno-alpha-D-ribofuranose

Systematic names

ProgramVersionName
ACDLabs 12.01 5-Se-methyl-5-seleno-alpha-D-ribofuranose
OpenEye OEToolkits 2.0.6 (2~{S},3~{R},4~{S},5~{S})-5-(methylselanylmethyl)oxolane-2,3,4-triol

Formula

C6 H12 O4 Se

Formal charge

0

Molecular weight

227.117 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C[Se]CC1OC(O)C(O)C1O
SMILES CACTVS 3.385 C[Se]C[CH]1O[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C[Se]CC1C(C(C(O1)O)O)O
Canonical SMILES CACTVS 3.385 C[Se]C[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O

IUPAC InChI

InChI=1S/C6H12O4Se/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1

IUPAC InChI key

UFNQFLPLDXICBS-KAZBKCHUSA-N
8GA

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-04

Last modified at

2018-09-07

Status

Released

Obsoleted

Not Assigned