Chemical Components in the PDB

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SNG : Summary

Code

SNG

One-letter code

X

Molecule name

methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-glucopyranoside
OpenEye OEToolkits 1.5.0 N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methylselanyl-oxan-3-yl]ethanamide

Formula

C9 H17 N O5 Se

Formal charge

0

Molecular weight

298.195 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C
SMILES CACTVS 3.341 C[Se][CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC1C(C(C(OC1[Se]C)CO)O)O
Canonical SMILES CACTVS 3.341 C[Se][C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O

IUPAC InChI

InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1

IUPAC InChI key

AZZZNYGPGINRNT-OKNNCHMLSA-N
SNG

wwPDB Information

Atom count

33 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2002-12-20

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned