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Showing metabocard for Tungsten (HMDB0001989)

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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
Description
Structure
Thumb
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
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
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)Not Available
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