Record Information
Version1.0
Creation Date2016-05-19 02:47:33 UTC
Update Date2016-11-09 01:13:48 UTC
Accession NumberCHEM008531
Identification
Common NameStyrenyl surface treated manganese ferrite (generic)
ClassSmall Molecule
DescriptionManganese is a transition metal with a molar mass of 54.94g/mol. Manganese is considered critical for human health, and plays important roles in development, metabolism, and the antioxidant system. That said, excessive manganese intake is associated with manganism, a neurodegenerative disorder that causes dopaminergic neuronal death and parkinsonian-like symptoms.
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
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 Mass54.938 g/mol
Monoisotopic Mass54.938 g/mol
CAS Registry Number239555
IUPAC Namemanganese(2+) ion
Traditional Namemanganese(2+) ion
SMILES[Mn]
InChI IdentifierInChI=1S/Mn
InChI KeyPWHULOQIROXLJO-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
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot 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
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f883Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f883Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-6f3891a406ae3fe4f883Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-c3110d268939143a5f80Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-c3110d268939143a5f80Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-c3110d268939143a5f80Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB06757
HMDB IDHMDB0001333
FooDB IDFDB031005
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkManganese
Chemspider ID25916
ChEBI ID29035
PubChem Compound ID27854
Kegg Compound IDC19610
YMDB IDYMDB01521
ECMDB IDECMDB01333
References
Synthesis ReferenceNot Available
MSDSNot Available
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.
2. 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
3. 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
4. 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
5. A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation)
6. 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
7. 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
8. Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en
9. Ikeda S, Sera Y, Yoshida M, Ohshiro H, Uchino S, Oka Y, Lee KJ, Kotera A: Manganese deposits in patients with biliary atresia after hepatic porto-enterostomy. J Pediatr Surg. 2000 Mar;35(3):450-3.
10. Greger JL: Nutrition versus toxicology of manganese in humans: evaluation of potential biomarkers. Neurotoxicology. 1999 Apr-Jun;20(2-3):205-12.
11. Lander F, Kristiansen J, Lauritsen JM: Manganese exposure in foundry furnacemen and scrap recycling workers. Int Arch Occup Environ Health. 1999 Nov;72(8):546-50.
12. Mizoguchi N, Nishimura Y, Ono H, Sakura N: Manganese elevations in blood of children with congenital portosystemic shunts. Eur J Pediatr. 2001 Apr;160(4):247-50.
13. Woolf A, Wright R, Amarasiriwardena C, Bellinger D: A child with chronic manganese exposure from drinking water. Environ Health Perspect. 2002 Jun;110(6):613-6.
14. Ikeda S, Yamaguchi Y, Sera Y, Ohshiro H, Uchino S, Yamashita Y, Ogawa M: Manganese deposition in the globus pallidus in patients with biliary atresia. Transplantation. 2000 Jun 15;69(11):2339-43.
15. Wardle CA, Forbes A, Roberts NB, Jawhari AV, Shenkin A: Hypermanganesemia in long-term intravenous nutrition and chronic liver disease. JPEN J Parenter Enteral Nutr. 1999 Nov-Dec;23(6):350-5.
16. Mergler D, Baldwin M, Belanger S, Larribe F, Beuter A, Bowler R, Panisset M, Edwards R, de Geoffroy A, Sassine MP, Hudnell K: Manganese neurotoxicity, a continuum of dysfunction: results from a community based study. Neurotoxicology. 1999 Apr-Jun;20(2-3):327-42.
17. Butterworth RF: Hepatic encephalopathy. Alcohol Res Health. 2003;27(3):240-6.
18. Herynek V, Babis M, Trunecka P, Filip K, Vymazal J, Dezortova M, Hajek M: Chronic liver disease: relaxometry in the brain after liver transplantation. MAGMA. 2001 Mar;12(1):10-5.
19. Miranda M, Caballero L: [Chronic hepatic encephalopathy: the role of high serum manganese levels and its relation with basal ganglia lesions in nuclear magnetic resonance of the brain. Clinical case]. Rev Med Chil. 2001 Sep;129(9):1051-5.
20. Barceloux DG: Manganese. J Toxicol Clin Toxicol. 1999;37(2):293-307.
21. Bader M, Dietz MC, Ihrig A, Triebig G: Biomonitoring of manganese in blood, urine and axillary hair following low-dose exposure during the manufacture of dry cell batteries. Int Arch Occup Environ Health. 1999 Nov;72(8):521-7.
22. Kao HJ, Chen WH, Liu JS: Rapid progression of parkinsonism associated with an increase of blood manganese. Kaohsiung J Med Sci. 1999 May;15(5):297-301.
23. Melo TM, Larsen C, White LR, Aasly J, Sjobakk TE, Flaten TP, Sonnewald U, Syversen T: Manganese, copper, and zinc in cerebrospinal fluid from patients with multiple sclerosis. Biol Trace Elem Res. 2003 Summer;93(1-3):1-8.
24. Lees-Haley PR, Rohling ML, Langhinrichsen-Rohling J: A meta-analysis of the neuropsychological effects of occupational exposure to manganese. Clin Neuropsychol. 2006 Feb;20(1):90-107.
25. Sadek AH, Rauch R, Schulz PE: Parkinsonism due to manganism in a welder. Int J Toxicol. 2003 Sep-Oct;22(5):393-401.
26. Wang X, Li GJ, Zheng W: Upregulation of DMT1 expression in choroidal epithelia of the blood-CSF barrier following manganese exposure in vitro. Brain Res. 2006 Jun 30;1097(1):1-10. Epub 2006 May 26.
27. Takeda A: Manganese action in brain function. Brain Res Brain Res Rev. 2003 Jan;41(1):79-87.
28. Baldwin M, Mergler D, Larribe F, Belanger S, Tardif R, Bilodeau L, Hudnell K: Bioindicator and exposure data for a population based study of manganese. Neurotoxicology. 1999 Apr-Jun;20(2-3):343-53.