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Showing metabocard for Molybdenum (HMDB0001302)

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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
Description
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
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
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

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