Chemical Components in the PDB

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NSM : Summary

Code

NSM

One-letter code

X

Molecule name

NITROSOMETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 nitrosomethane
OpenEye OEToolkits 1.5.0 nitrosomethane

Formula

C H3 N O

Formal charge

0

Molecular weight

45.041 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=NC
SMILES CACTVS 3.341 CN=O
SMILES OpenEye OEToolkits 1.5.0 CN=O
Canonical SMILES CACTVS 3.341 CN=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN=O

IUPAC InChI

InChI=1S/CH3NO/c1-2-3/h1H3

IUPAC InChI key

IMHRONYAKYWGCC-UHFFFAOYSA-N
NSM

wwPDB Information

Atom count

6 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-11-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned