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Showing metabocard for Tungsten (HMDB0001989)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
enzymes (1) Show 1 protein
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:30 UTC
Update Date2020-10-09 21:02:14 UTC
HMDB IDHMDB0001989
Secondary Accession Numbers
  • HMDB01989
Metabolite Identification
Common NameTungsten
DescriptionTungsten is a transition metal found, along with chromium, molybdenum and seaborgium, in Group VI of the Periodic Table of elements. Since its discovery in the last quarter of 18th century, tungsten-based products have been in use in a wide range of applications stretching from daily household necessities to highly specialized components of modern science and technology. As new applications and uses are discovered continuously, interest on and demand for tungsten, already an essential commodity, are projected to increase steadily in the years to come. Unavoidably, as is the case with other natural materials and/or non-renewable resources, increased demand and use of tungsten will spawn (a) increased interactions with other materials and/or non-sustainable practices, (b) a greater number of possible entry points into the natural and human environment and (c) a higher probability of deliberate or accidental releases. Currently, the existing knowledge base does not provide clear information about the behavior of tungsten-based products in the environment. The toxicological profile of tungsten, including possible effects on living organisms and exposure pathways, remains rather sketchy, narrow and fragmentary. Regulation of tungsten, both in terms of environmental and occupational safety and health, is at present limited in comparison with other metals. This pattern of environmental obscurity has been unequivocally disrupted by the events of Fallon, Nevada and the possible implication of tungsten to an acute lymphocytic leukemia (ALL) cluster. Tungsten is now the focus of scrutiny as it currently occupies the top of 'to do' lists of various regulatory, health and environmental agencies. The occurrence of a childhood leukemia cluster in Fallon, Nevada prompted a wide investigation that involved several local, state and federal agencies led by the Centers of Disease Control (CDC). In essence, the objective of this investigation was to assess whether environmental causes were responsible for the cluster. The 16 reported leukemia cases within the time frame of 1997-2001, were well above the average for Nevada (3.0 cases/100,000 children/5 years). Several possible causes were proposed, such as jet fuel (JP-8) from a nearby military base or from a JP-8 pipeline running through the city, high levels of arsenic and other metals in the drinking water supplies, industrial pollution from a local tungsten smelting facility, and agrochemical contamination resulting from agricultural pesticide/fungicide use. Although the exact causes of leukemia are not well known, genetic and/or environmental factors may trigger the disease including ionizing and electromagnetic radiation, infectious and chemical agents. Physiologically, it exists as an ion in the body.(PMID: 16343746 ).
Structure
Data?1582752222
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001989 (Tungsten)


  Mrv0541 02231219182D          

  1  0  0  0  0  0            999 V2000
   26.8480  -15.5768    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   4
M  END
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3D MOL for HMDB0001989 (Tungsten)

HMDB0001989
     RDKit          3D
Tungsten
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 W   0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   4
M  END
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3D SDF for HMDB0001989 (Tungsten)


  Mrv0541 02231219182D          

  1  0  0  0  0  0            999 V2000
   26.8480  -15.5768    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   4
M  END
> <DATABASE_ID>
HMDB0001989

> <DATABASE_NAME>
hmdb

> <SMILES>
[W+4]

> <INCHI_IDENTIFIER>
InChI=1S/W/q+4

> <INCHI_KEY>
YFGRPIXHCIXTLM-UHFFFAOYSA-N

> <FORMULA>
W

> <MOLECULAR_WEIGHT>
183.84

> <EXACT_MASS>
183.950932553

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tungsten(4+) ion

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tungsten(4+) ion

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0001989 (Tungsten)

HMDB0001989
     RDKit          3D
Tungsten
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 W   0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   4
M  END
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PDB for HMDB0001989 (Tungsten)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  W   UNK     0      50.116 -29.077   0.000  0.00  0.00           W+4
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0001989 (Tungsten)

COMPND    HMDB0001989
HETATM    1  W1  UNL     1       0.000   0.000   0.000  1.00  0.00           W4+
END
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SMILES for HMDB0001989 (Tungsten)

[W+4]
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INCHI for HMDB0001989 (Tungsten)

InChI=1S/W/q+4
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View in JSmolView Stereo Labels
Synonyms
ValueSource
W(4+)ChEBI
Tungsten ionHMDB
TunstenHMDB
WolframHMDB
WolframiumHMDB
Chemical FormulaW
Average Molecular Weight183.84
Monoisotopic Molecular Weight183.950932553
IUPAC Nametungsten(4+) ion
Traditional Nametungsten(4+) ion
CAS Registry Number7440-33-7
SMILES
[W+4]
InChI Identifier
InChI=1S/W/q+4
InChI KeyYFGRPIXHCIXTLM-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
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point3410 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge4ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+141.932859911
AllCCS[M+H-H2O]+138.532859911
AllCCS[M+NH4]+145.132859911
AllCCS[M+Na]+146.032859911
AllCCS[M-H]-189.932859911
AllCCS[M+Na-2H]-201.432859911
AllCCS[M+HCOO]-214.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tungsten[W+4]694.8Standard polar33892256
Tungsten[W+4]230.2Standard non polar33892256
Tungsten[W+4]49.2Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tungsten 10V, Positive-QTOFsplash10-001i-0900000000-5aed1c5d3e646fa1fdaf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tungsten 20V, Positive-QTOFsplash10-001i-0900000000-5aed1c5d3e646fa1fdaf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tungsten 40V, Positive-QTOFsplash10-001i-0900000000-5aed1c5d3e646fa1fdaf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tungsten 10V, Negative-QTOFsplash10-001i-0900000000-4c1e004288d3337c00972016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tungsten 20V, Negative-QTOFsplash10-001i-0900000000-4c1e004288d3337c00972016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tungsten 40V, Negative-QTOFsplash10-001i-0900000000-4c1e004288d3337c00972016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.00016 +/- 0.00011 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.000054 (0.0-0.001) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.00039 +/- 0.00016 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified<0.008 uMAdult (>18 years old)BothNormal details
SalivaDetected and Quantified0.009 +/- 0.01 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
UrineDetected and Quantified0.0060 (0.0011-0.0280) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.01 +/- 0.022 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified0.000048 (0.0000443-0.0000517) umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal
    • National Health a...
 details
UrineDetected and Quantified0.000126 (0.000109-0.000147) umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal
    • National Health a...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.00016 +/- 0.00011 uMElderly (>65 years old)Both
Alzheimer's disease		 details
BloodDetected and Quantified0.000163 +/- 0.000109 uMAdult (>18 years old)BothParkinson's disease details
BloodDetected and Quantified0.00038 +/- 0.00022 uMAdult (>18 years old)BothMultiple sclerosis details
BloodDetected and Quantified0.034 (0.0108-0.078) uMAdult (>18 years old)Both
Occluded vessels		 details
BloodDetected and Quantified0.00033 +/- 0.00016 uMElderly (>65 years old)Both
Alzheimer's disease		 details
Associated Disorders and Diseases
Disease References
Vessel occlusion
  1. Peuster M, Fink C, von Schnakenburg C, Hausdorf G: Dissolution of tungsten coils does not produce systemic toxicity, but leads to elevated levels of tungsten in the serum and recanalization of the previously occluded vessel. Cardiol Young. 2002 May;12(3):229-35. [PubMed:12365168 ]
Alzheimer's disease
  1. Bocca B, Forte G, Petrucci F, Pino A, Marchione F, Bomboi G, Senofonte O, Giubilei F, Alimonti A: Monitoring of chemical elements and oxidative damage in patients affected by Alzheimer's disease. Ann Ist Super Sanita. 2005;41(2):197-203. [PubMed:16244393 ]
Multiple sclerosis
  1. Forte G, Visconti A, Santucci S, Ghazaryan A, Figa-Talamanca L, Cannoni S, Bocca B, Pino A, Violante N, Alimonti A, Salvetti M, Ristori G: Quantification of chemical elements in blood of patients affected by multiple sclerosis. Ann Ist Super Sanita. 2005;41(2):213-6. [PubMed:16244395 ]
Parkinson's disease
  1. Forte G, Alimonti A, Pino A, Stanzione P, Brescianini S, Brusa L, Sancesario G, Violante N, Bocca B: Metals and oxidative stress in patients with Parkinson's disease. Ann Ist Super Sanita. 2005;41(2):189-95. [PubMed:16244392 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003790
KNApSAcK IDNot Available
Chemspider ID11524983
KEGG Compound IDC00753
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTungsten
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID30517
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000362
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Schroder K, Vecchione C, Jung O, Schreiber JG, Shiri-Sverdlov R, van Gorp PJ, Busse R, Brandes RP: Xanthine oxidase inhibitor tungsten prevents the development of atherosclerosis in ApoE knockout mice fed a Western-type diet. Free Radic Biol Med. 2006 Nov 1;41(9):1353-60. Epub 2006 Apr 4. [PubMed:17023262 ]
  2. Navas-Acien A, Silbergeld EK, Sharrett R, Calderon-Aranda E, Selvin E, Guallar E: Metals in urine and peripheral arterial disease. Environ Health Perspect. 2005 Feb;113(2):164-9. [PubMed:15687053 ]
  3. Nagareddy PR, Vasudevan H, McNeill JH: Oral administration of sodium tungstate improves cardiac performance in streptozotocin-induced diabetic rats. Can J Physiol Pharmacol. 2005 May;83(5):405-11. [PubMed:15897922 ]
  4. Koutsospyros A, Braida W, Christodoulatos C, Dermatas D, Strigul N: A review of tungsten: from environmental obscurity to scrutiny. J Hazard Mater. 2006 Aug 10;136(1):1-19. Epub 2005 Dec 15. [PubMed:16343746 ]

Enzymes

Enzyme Details
1. Gephyrin
General function:
Involved in Mo-molybdopterin cofactor biosynthetic process
Specific function:
Microtubule-associated protein involved in membrane protein-cytoskeleton interactions. It is thought to anchor the inhibitory glycine receptor (GLYR) to subsynaptic microtubules (By similarity). Catalyzes two steps in the biosynthesis of the molybdenum cofactor. In the first step, molybdopterin is adenylated. Subsequently, molybdate is inserted into adenylated molybdopterin and AMP is released.
Gene Name:
GPHN
Uniprot ID:
Q9NQX3
Molecular weight:
79747.635