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Showing metabocard for Molybdenum (HMDB0001302)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (7) Show 7 proteinsXML
enzymes (7) Show 7 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-16 12:59:59 UTC
Update Date2022-03-07 02:49:09 UTC
HMDB IDHMDB0001302
Secondary Accession Numbers
  • HMDB01302
Metabolite Identification
Common NameMolybdenum
DescriptionMolybdenum is a transition metal with the atomic symbol Mo, atomic number 42, and atomic weight 95.94. The pure metal is silvery white in color, fairly soft, and has one of the highest melting points of all pure elements. Physiologically, it exists as an ion in the body. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase. There is a trace requirement for molybdenum in plants, and soils can be barren due to molybdenum deficiencies. Plants and animals generally have molybdenum present in amounts of a few parts per million. In animals molybdenum is a cofactor of the enzyme xanthine oxidase which is involved in the pathways of purine degradation and formation of uric acid. In some animals, adding a small amount of dietary molybdenum enhances growth. Francis Crick suggested that since molybdenum is an essential trace element that plays an important role in many enzymatic reactions, despite being less abundant than the more common elements, such as chromium and nickel, that perhaps this fact is indicative of "Panspermia." Crick theorized that if it could be shown that the elements represented in terrestrial living organisms correlate closely with those that are abundant in some class of star - molybdenum stars, for example, that this would provide evidence of such Directed Panspermia. In small quantities, molybdenum is effective at hardening steel. Molybdenum is important in plant nutrition, and is found in certain enzymes, including xanthine oxidase. Molybdenum is used to this day in high-strength alloys and in high-temperature steels. Special molybdenum-containing alloys, such as the Hastelloys, are notably heat-resistant and corrosion-resistant. Molybdenum is used in oil pipelines, aircraft and missile parts, and in filaments. Molybdenum finds use as a catalyst in the petroleum industry, especially in catalysts for removing organic sulfurs from petroleum products. It is used to form the anode in some x-ray tubes, particularly in mammography applications. And is found in some electronic applications as the conductive metal layers in thin-film transistors (TFTs). Molybdenum disulfide is a good lubricant, especially at high temperatures. And Mo-99 is used in the nuclear isotope industry. Molybdenum pigments range from red-yellow to a bright red orange and are used in paints, inks, plastics, and rubber compounds.
Structure
Data?1582752190
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001302 (Molybdenum)


  Mrv0541 02231219032D          

  1  0  0  0  0  0            999 V2000
   15.7067  -17.5433    0.0000 Mo  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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3D MOL for HMDB0001302 (Molybdenum)

HMDB0001302
     RDKit          3D
Molybdenum
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Mo  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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3D SDF for HMDB0001302 (Molybdenum)


  Mrv0541 02231219032D          

  1  0  0  0  0  0            999 V2000
   15.7067  -17.5433    0.0000 Mo  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
HMDB0001302

> <DATABASE_NAME>
hmdb

> <SMILES>
[Mo++]

> <INCHI_IDENTIFIER>
InChI=1S/Mo/q+2

> <INCHI_KEY>
MMVYPOCJESWGTC-UHFFFAOYSA-N

> <FORMULA>
Mo

> <MOLECULAR_WEIGHT>
95.94

> <EXACT_MASS>
97.905407846

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
molybdenum(2+) ion

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
molybdenum(2+) ion

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0001302 (Molybdenum)

HMDB0001302
     RDKit          3D
Molybdenum
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Mo  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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PDB for HMDB0001302 (Molybdenum)

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 Mo   UNK     0      29.319 -32.747   0.000  0.00  0.00          Mo+2
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0001302 (Molybdenum)

COMPND    HMDB0001302
HETATM    1 MO1  UNL     1       0.000   0.000   0.000  1.00  0.00          MO2+
END
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SMILES for HMDB0001302 (Molybdenum)

[Mo++]
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INCHI for HMDB0001302 (Molybdenum)

InChI=1S/Mo/q+2
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View in JSmolView Stereo Labels
Synonyms
ValueSource
MoHMDB
MolybdaenHMDB
MolybdeneHMDB
Molybdenum atomHMDB
Molybdenum elementalHMDB
Molybdenum insoluble compoundsHMDB
Molybdenum metallicHMDB
Chemical FormulaMo
Average Molecular Weight95.94
Monoisotopic Molecular Weight97.905407846
IUPAC Namemolybdenum(2+) ion
Traditional Namemolybdenum(2+) ion
CAS Registry Number7439-98-7
SMILES
[Mo++]
InChI Identifier
InChI=1S/Mo/q+2
InChI KeyMMVYPOCJESWGTC-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
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point2622 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0ChemAxon
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
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]+125.16632859911
AllCCS[M-H]-144.43832859911
AllCCS[M+H]+125.232859911
AllCCS[M+H-H2O]+121.532859911
AllCCS[M+NH4]+128.632859911
AllCCS[M+Na]+129.532859911
AllCCS[M-H]-144.432859911
AllCCS[M+Na-2H]-156.132859911
AllCCS[M+HCOO]-168.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Molybdenum[Mo++]696.2Standard polar33892256
Molybdenum[Mo++]273.5Standard non polar33892256
Molybdenum[Mo++]58.5Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdenum 10V, Positive-QTOFsplash10-0002-9000000000-b89a284902f26c13cae12015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdenum 20V, Positive-QTOFsplash10-0002-9000000000-b89a284902f26c13cae12015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdenum 40V, Positive-QTOFsplash10-0002-9000000000-b89a284902f26c13cae12015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdenum 10V, Negative-QTOFsplash10-0002-9000000000-d12f288be7c114068ddf2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdenum 20V, Negative-QTOFsplash10-0002-9000000000-d12f288be7c114068ddf2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Molybdenum 40V, Negative-QTOFsplash10-0002-9000000000-d12f288be7c114068ddf2015-09-15Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue Locations
  • Brain
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0094 +/- 0.005 uMElderly (>65 years old)BothNormal details
BloodDetected and Quantified0.00940(0.00705-0.01461) uMNot AvailableBothNormal
    • Report on Human B...
 details
BloodDetected and Quantified0.00766(0.00684-0.00889) uMAdult (>18 years old)BothNormal
    • Report on Human B...
 details
BloodDetected and Quantified0.006 (0.0029 - 0.012) uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.0029 - 0.0120 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.01 +/- 0.009 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.034 +/- 0.016 uMAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected and Quantified0.035 +/- 0.02 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified0.00302 +/- 0.00250 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.00146 +/- 0.000834 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.00219 +/- 0.00125 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.00365 +/- 0.00292 uMAdult (>18 years old)Male
Normal		 details
UrineDetected and Quantified0.09030 (0.05809-0.12183) umol/mmol creatinineNot AvailableBothNormal
    • Report on Human B...
 details
UrineDetected and Quantified0.05728 (0.05035-0.06374) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Report on Human B...
 details
UrineDetected and Quantified0.049 (0.006-0.295) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.06 +/- 0.03 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified0.0494 (0.0471-0.0517) umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal
    • National Health a...
 details
UrineDetected and Quantified0.104 (0.0965-0.113) umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal
    • National Health a...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.022 +/- 0.0085 uMAdult (>18 years old)BothMultiple sclerosis details
BloodDetected and Quantified0.0091 +/- 0.0043 uMAdult (>18 years old)BothParkinson's disease details
BloodDetected and Quantified0.012 +/- 0.0059 uMElderly (>65 years old)BothAlzheimer's disease details
Associated Disorders and Diseases
Disease References
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 IDFDB003653
KNApSAcK IDNot Available
Chemspider ID161267
KEGG Compound IDC00150
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMolybdenum
METLIN IDNot Available
PubChem Compound185498
PDB IDNot Available
ChEBI ID28685
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000314
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Reiss J, Johnson JL: Mutations in the molybdenum cofactor biosynthetic genes MOCS1, MOCS2, and GEPH. Hum Mutat. 2003 Jun;21(6):569-76. [PubMed:12754701 ]
  2. Mendel RR, Bittner F: Cell biology of molybdenum. Biochim Biophys Acta. 2006 Jul;1763(7):621-35. Epub 2006 May 12. [PubMed:16784786 ]
  3. Mendel RR: Molybdenum: biological activity and metabolism. Dalton Trans. 2005 Nov 7;(21):3404-9. Epub 2005 Sep 26. [PubMed:16234918 ]
  4. Goldhaber SB: Trace element risk assessment: essentiality vs. toxicity. Regul Toxicol Pharmacol. 2003 Oct;38(2):232-42. [PubMed:14550763 ]
  5. Nakagawa N: [Studies on changes in trace elements of the brain related to aging]. Hokkaido Igaku Zasshi. 1998 Mar;73(2):181-99. [PubMed:9612711 ]
  6. Vyskocil A, Viau C: Assessment of molybdenum toxicity in humans. J Appl Toxicol. 1999 May-Jun;19(3):185-92. [PubMed:10362269 ]
  7. Barceloux DG: Molybdenum. J Toxicol Clin Toxicol. 1999;37(2):231-7. [PubMed:10382558 ]
  8. Failla ML: Considerations for determining 'optimal nutrition' for copper, zinc, manganese and molybdenum. Proc Nutr Soc. 1999 May;58(2):497-505. [PubMed:10466195 ]
  9. Reiss J: Genetics of molybdenum cofactor deficiency. Hum Genet. 2000 Feb;106(2):157-63. [PubMed:10746556 ]
  10. Williams RJ, Frausto da Silva JJ: The involvement of molybdenum in life. Biochem Biophys Res Commun. 2002 Mar 29;292(2):293-9. [PubMed:11906160 ]
  11. Hille R: Molybdenum and tungsten in biology. Trends Biochem Sci. 2002 Jul;27(7):360-7. [PubMed:12114025 ]
  12. Johnson JL: Prenatal diagnosis of molybdenum cofactor deficiency and isolated sulfite oxidase deficiency. Prenat Diagn. 2003 Jan;23(1):6-8. [PubMed:12533804 ]
  13. Hille R: Molybdenum-containing hydroxylases. Arch Biochem Biophys. 2005 Jan 1;433(1):107-16. [PubMed:15581570 ]
  14. Schwarz G: Molybdenum cofactor biosynthesis and deficiency. Cell Mol Life Sci. 2005 Dec;62(23):2792-810. [PubMed:16261263 ]
  15. Kitamura S, Sugihara K, Ohta S: Drug-metabolizing ability of molybdenum hydroxylases. Drug Metab Pharmacokinet. 2006 Apr;21(2):83-98. [PubMed:16702728 ]
  16. Enemark JH, Astashkin AV, Raitsimring AM: Investigation of the coordination structures of the molybdenum(v) sites of sulfite oxidizing enzymes by pulsed EPR spectroscopy. Dalton Trans. 2006 Aug 7;(29):3501-14. Epub 2006 Jun 22. [PubMed:16855750 ]
  17. Schmidt M, Weber H, Schon R: Cobalt chromium molybdenum metal combination for modular hip prostheses. Clin Orthop Relat Res. 1996 Aug;(329 Suppl):S35-47. [PubMed:8769321 ]
  18. Kisker C, Schindelin H, Rees DC: Molybdenum-cofactor-containing enzymes: structure and mechanism. Annu Rev Biochem. 1997;66:233-67. [PubMed:9242907 ]
  19. Kisker C, Schindelin H, Baas D, Retey J, Meckenstock RU, Kroneck PM: A structural comparison of molybdenum cofactor-containing enzymes. FEMS Microbiol Rev. 1998 Dec;22(5):503-21. [PubMed:9990727 ]

Enzymes

Enzyme Details
1. Aldehyde oxidase
General function:
Involved in oxidoreductase activity
Specific function:
Not Available
Gene Name:
AOX1
Uniprot ID:
Q06278
Molecular weight:
147916.735
Enzyme Details
2. Xanthine dehydrogenase/oxidase
General function:
Involved in oxidoreductase activity
Specific function:
Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro).
Gene Name:
XDH
Uniprot ID:
P47989
Molecular weight:
146422.99
Enzyme Details
3. Sulfite oxidase, mitochondrial
General function:
Involved in heme binding
Specific function:
Not Available
Gene Name:
SUOX
Uniprot ID:
P51687
Molecular weight:
60282.59
Enzyme Details
4. 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
Enzyme Details
5. MOSC domain-containing protein 2, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Catalytic component of the benzamidoxime prodrug- converting complex, a complex required to reduce N-hydroxylated structures, such as benzamidoxime prodrug. Benzamidoxime is an amidine prodrug produced by N-hydroxylation which is used to enhance bioavailability and increase intestinal absorption. It is then reduced into benzamidine, its active amidine, by the benzamidoxime prodrug-converting complex
Gene Name:
MOSC2
Uniprot ID:
Q969Z3
Molecular weight:
38023.0
Enzyme Details
6. Molybdenum cofactor sulfurase
General function:
Involved in metabolic process
Specific function:
Sulfurates the molybdenum cofactor. Sulfation of molybdenum is essential for xanthine dehydrogenase (XDH) and aldehyde oxidase (ADO) enzymes in which molybdenum cofactor is liganded by 1 oxygen and 1 sulfur atom in active form. In vitro, the C-terminal domain is able to reduce N-hydroxylated prodrugs, such as benzamidoxime.
Gene Name:
MOCOS
Uniprot ID:
Q96EN8
Molecular weight:
98118.965
Enzyme Details
7. MOSC domain-containing protein 1, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Probable oxidoreductase
Gene Name:
MOSC1
Uniprot ID:
Q5VT66
Molecular weight:
37499.0