Chemical Components in the PDB

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C2H : Summary

Code

C2H

One-letter code

X

Molecule name

acetylene

Synonyms

ethyne

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyne
OpenEye OEToolkits 2.0.6 ethyne

Formula

C2 H2

Formal charge

0

Molecular weight

26.037 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C#C
SMILES CACTVS 3.385 C#C
SMILES OpenEye OEToolkits 2.0.6 C#C
Canonical SMILES CACTVS 3.385 C#C
Canonical SMILES OpenEye OEToolkits 2.0.6 C#C

IUPAC InChI

InChI=1S/C2H2/c1-2/h1-2H

IUPAC InChI key

HSFWRNGVRCDJHI-UHFFFAOYSA-N
C2H

wwPDB Information

Atom count

4 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-10-19

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned