Chemical Components in the PDB

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7GP : Summary

Code

7GP

One-letter code

X

Molecule name

N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine
OpenEye OEToolkits 1.5.0 ethyl 2-oxo-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethanoate

Formula

C10 H17 N O8

Formal charge

0

Molecular weight

279.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OCC
SMILES CACTVS 3.341 CCOC(=O)C(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CCOC(=O)C(=O)NC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES CACTVS 3.341 CCOC(=O)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

IUPAC InChI

InChI=1S/C10H17NO8/c1-2-18-10(17)8(16)11-9-7(15)6(14)5(13)4(3-12)19-9/h4-7,9,12-15H,2-3H2,1H3,(H,11,16)/t4-,5-,6+,7-,9-/m1/s1

IUPAC InChI key

TVQLSCFCYGZTNJ-XSEHCYKFSA-N
7GP

wwPDB Information

Atom count

36 (19 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2006-01-25

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned