Chemical Components in the PDB

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NO3 : Summary

Code

NO3

One-letter code

X

Molecule name

NITRATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 nitrate
OpenEye OEToolkits 1.5.0 nitrate

Formula

N O3

Formal charge

-1

Molecular weight

62.005 Da

SMILES

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

IUPAC InChI

InChI=1S/NO3/c2-1(3)4/q-1

IUPAC InChI key

NHNBFGGVMKEFGY-UHFFFAOYSA-N
NO3

wwPDB Information

Atom count

4 (4 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