Showing Compound Mn2+ (FDB031005)

Record Information

Version

1.0

Creation date

2015-05-07 20:46:59 UTC

Update date

2020-09-17 15:40:48 UTC

Primary ID

FDB031005

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Mn2+

Description

Manganese, also known as MN(II) or MN2+, belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Manganese is possibly neutral. Manganese exists in all living species, ranging from bacteria to humans. In humans, manganese is involved in pyruvate metabolism. A divalent metal cation in which the metal is manganese. Outside of the human body, Manganese has been detected, but not quantified in, several different foods, such as malus (crab apple), roselles, grass pea, red beetroots, and mustard spinachs. This could make manganese a potential biomarker for the consumption of these foods. Manganese is a potentially toxic compound.

CAS Number

7439-96-5

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
MANGANESE (II) ion	ChEBI
Manganese(II)	ChEBI
Manganese, ion (MN2+)	ChEBI
Manganous ion	ChEBI
MN(II)	ChEBI
MN(2+)	ChEBI
MN2+	ChEBI

Predicted Properties

Property	Value	Source
logP	-0.16	ChemAxon
pKa (Strongest Acidic)	3.09	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

IUPAC name

manganese(2+) ion

InChI Identifier

InChI=1S/Mn/q+2

InChI Key

WAEMQWOKJMHJLA-UHFFFAOYSA-N

Isomeric SMILES

[Mn++]

Average Molecular Weight

54.938

Monoisotopic Molecular Weight

54.938049636

Classification

Description

Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

monoatomic dication (CHEBI:29035 )
divalent metal cation (CHEBI:29035 )
manganese cation (CHEBI:29035 )
a cation (MN+2 )

Ontology

Physiological effect

Health effect:

Health condition:

Multiple sclerosis

Disposition

Route of exposure:

Parenteral:

Inhalation

Enteral:

Ingestion

Source:

Food

Biological:

Animal

Plant:

Biological location:

Organ and components:

Biofluid and excreta:

Tissue and substructures:

Hair

Role

Environmental role:

Industrial application:

Pharmaceutical industry:

Pharmaceutical

Biological role:

Trace element

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-9000000000-6f3891a406ae3fe4f883	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-6f3891a406ae3fe4f883	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-6f3891a406ae3fe4f883	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-9000000000-c3110d268939143a5f80	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-9000000000-c3110d268939143a5f80	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-9000000000-c3110d268939143a5f80	2015-09-15	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

Not Available

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

Not Available

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Mn2+ (FDB031005)

Structure for FDB031005 (Mn2+)