Chemical Components in the PDB

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8B9 : Summary

Code

8B9

One-letter code

X

Molecule name

2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose

Systematic names

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

Formula

C8 H15 N O5

Formal charge

0

Molecular weight

205.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O
SMILES OpenEye OEToolkits 2.0.6 CC(=O)NC1C(CC(OC1O)CO)O
Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H]1[C@@H](O)C[C@@H](CO)O[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O

IUPAC InChI

InChI=1S/C8H15NO5/c1-4(11)9-7-6(12)2-5(3-10)14-8(7)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7+,8-/m0/s1

IUPAC InChI key

LLRSBEXKLNOWPS-HSNKUXOKSA-N
8B9

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2017-06-02

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned