Chemical Components in the PDB

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8GC : Summary

Code

8GC

One-letter code

X

Molecule name

3-carbamoyl-1-methylpyridin-1-ium

Systematic names

ProgramVersionName
ACDLabs 12.01 3-carbamoyl-1-methylpyridin-1-ium
OpenEye OEToolkits 2.0.6 1-methylpyridin-1-ium-3-carboxamide

Formula

C7 H9 N2 O

Formal charge

1

Molecular weight

137.159 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(N)(=O)c1ccc[n+](C)c1
SMILES CACTVS 3.385 C[n+]1cccc(c1)C(N)=O
SMILES OpenEye OEToolkits 2.0.6 C[n+]1cccc(c1)C(=O)N
Canonical SMILES CACTVS 3.385 C[n+]1cccc(c1)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[n+]1cccc(c1)C(=O)N

IUPAC InChI

InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1

IUPAC InChI key

LDHMAVIPBRSVRG-UHFFFAOYSA-O
8GC

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-03

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned