Chemical Components in the PDB

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0HQ : Summary

Code

0HQ

One-letter code

X

Molecule name

diazomethane

Synonyms

DIAZOMETHYL GROUP

Systematic names

ProgramVersionName
ACDLabs 12.01 diazomethane
OpenEye OEToolkits 1.7.0 diazomethane

Formula

C H2 N2

Formal charge

0

Molecular weight

42.04 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [N-]=[N+]=C
SMILES CACTVS 3.370 C=[N+]=[N-]
SMILES OpenEye OEToolkits 1.7.0 C=[N+]=[N-]
Canonical SMILES CACTVS 3.370 C=[N+]=[N-]
Canonical SMILES OpenEye OEToolkits 1.7.0 C=[N+]=[N-]

IUPAC InChI

InChI=1S/CH2N2/c1-3-2/h1H2

IUPAC InChI key

YXHKONLOYHBTNS-UHFFFAOYSA-N
0HQ

wwPDB Information

Atom count

5 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-12-09

Last modified at

2011-07-13

Status

Released

Obsoleted

Not Assigned