Chemical Components in the PDB

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06C : Summary

Code

06C

One-letter code

X

Molecule name

Iodomethane

Synonyms

Methyl iodine

Systematic names

ProgramVersionName
ACDLabs 12.01 iodomethane
OpenEye OEToolkits 1.7.0 iodomethane

Formula

C H3 I

Formal charge

0

Molecular weight

141.939 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 IC
SMILES CACTVS 3.370 CI
SMILES OpenEye OEToolkits 1.7.0 CI
Canonical SMILES CACTVS 3.370 CI
Canonical SMILES OpenEye OEToolkits 1.7.0 CI

IUPAC InChI

InChI=1S/CH3I/c1-2/h1H3

IUPAC InChI key

INQOMBQAUSQDDS-UHFFFAOYSA-N
06C

wwPDB Information

Atom count

5 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-03

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned