Chemical Components in the PDB

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NO2 : Summary

Code

NO2

One-letter code

X

Molecule name

NITRITE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 nitrite
OpenEye OEToolkits 1.5.0 nitrite

Formula

N O2

Formal charge

-1

Molecular weight

46.005 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]N=O
SMILES CACTVS 3.341 [O-]N=O
SMILES OpenEye OEToolkits 1.5.0 N(=O)[O-]
Canonical SMILES CACTVS 3.341 [O-]N=O
Canonical SMILES OpenEye OEToolkits 1.5.0 N(=O)[O-]

IUPAC InChI

InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1

IUPAC InChI key

IOVCWXUNBOPUCH-UHFFFAOYSA-M
NO2

wwPDB Information

Atom count

3 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned