Showing metabocard for Manganese (BMDB0001333)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:44:16 UTC
Update Date2020-06-04 20:46:19 UTC
MCDB ID BMDB0001333
Secondary Accession Numbers
  • BMDB01333
Metabolite Identification
Common NameManganese
DescriptionManganese, 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 exists as a solid, possibly soluble (in water), and possibly neutral molecule. Manganese exists in all living species, ranging from bacteria to humans. Manganese is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
MANGANESE (II) ionChEBI
Manganese(II)ChEBI
Manganese, ion (MN2+)ChEBI
Manganous ionChEBI
MN(II)ChEBI
MN(2+)ChEBI
MN2+ChEBI
Chemical FormulaMn
Average Molecular Weight54.938
Monoisotopic Molecular Weight54.938049636
IUPAC Namemanganese(2+) ion
Traditional Namemanganese(2+) ion
CAS Registry Number7439-96-5
SMILES
[Mn++]
InChI Identifier
InChI=1S/Mn/q+2
InChI KeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
Chemical Taxonomy
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.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous transition metal
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point1244 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.16ChemAxon
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f8832015-09-14View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f8832015-09-14View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f8832015-09-14View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-c3110d268939143a5f802015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-c3110d268939143a5f802015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-c3110d268939143a5f802015-09-15View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.546 uM details
Detected and Quantified0.4 +/- 0.2 uM
  • A. PECHOVÁ et al....
 details
Detected and Quantified0.6 - 1.6 uM
  • Semaghiul Birghil...
 details
Detected and Quantified1.82 uM details
Detected and Quantified1.82 uM details
Detected and Quantified1.456 uM details
Detected and Quantified1.638 uM details
Detected and Quantified1.456 uM details
Detected and Quantified1.82 uM details
Detected and Quantified1.82 uM details
Detected and Quantified1.82 uM details
Detected and Quantified3.64 uM
  • Park, Y. W; Juáre...
 details
Detected and Quantified0.5 +/- 0.1 uM details
Detected and Quantified0.45 +/- 0.02 uM details
Detected and Quantified0.50 +/- 0.04 uM details
Detected and Quantified0.6 +/- 0.1 uM details
Detected and Quantified0.728 - 5.279 uM
  • Semaghiul Birghil...
 details
Detected and Quantified0.928 - 1.838 uM
  • Z. Dobrzański, R....
 details
Detected and Quantified3 +/- 0.11 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified3.71 +/- 0.22 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified1.511 +/- 0.091 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified4 +/- 0.73 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified1.2 +/- 0.073 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified3.2 +/- 2.0751 uM
  • Patricia Cava-Mon...
 details
HMDB IDHMDB0001333
DrugBank IDDB06757
Phenol Explorer Compound IDNot Available
FoodDB IDFDB031005
KNApSAcK IDNot Available
Chemspider ID25916
KEGG Compound IDC19610
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkManganese
METLIN IDNot Available
PubChem Compound27854
PDB IDNot Available
ChEBI ID29035
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Raghib MH, Chan WY, Rennert OM: Comparative biological availability of manganese from extrinsically labelled milk diets using sucking rats as a model. Br J Nutr. 1986 Jan;55(1):49-58. [PubMed:3663578 ]
  2. A. Pechová, L. Pavlata, R. Dvořák, E. Lokajová (2008). A. PECHOVÁ et al. Contents of Zn, Cu, Mn and Se in Milk in Relation to their Concentrations in Blood, Milk Yield and Stage of Lactation in Dairy Cattle. Acta Vet. Brno 2008, 77: 523-531. Acta Vet. Brno.
  3. Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu (2008). Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu. Determination of major and minor elements in milk through ICP-AES. Environmental Engineering and Management Journal. November/December 2008, Vol.7, No.6, 805-808. Environmental Engineering and Management Journal.
  4. Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. (2005). Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. 2005. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Pol. J. Environ. Stud. 14(5):685–689. Polish Journal of Environmental Studies.
  5. Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
  6. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
  7. Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia (2005). Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123. Analytica Chimica Acta.
  8. Fooddata+, The Technical University of Denmark (DTU) [Link]