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Showing metabocard for Rhenium (HMDB0013719)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2012-05-18 14:04:04 UTC
Update Date2020-02-26 21:39:04 UTC
HMDB IDHMDB0013719
Secondary Accession Numbers
  • HMDB13719
Metabolite Identification
Common NameRhenium
DescriptionIts usual commercial form is a powder, but this element can be consolidated by pressing and sintering in a vacuum or hydrogen atmosphere. This procedure yields a compact solid having a density above 90% of the density of the metal. When annealed this metal is very ductile and can be bent, coiled, or rolled. Rhenium-molybdenum alloys are superconductive at 10 K; tungsten-rhenium alloys are also superconductive around 4-8 K, depending on the alloy. Rhenium metal superconducts at 2.4 K. Methylrhenium trioxide ("MTO"), CH3ReO3 is a volatile, colourless solid has been used as a catalyst in some laboratory experiments. It can be prepared by many routes, a typical method is the reaction of Re2O7 and tetramethyltin:; Rhenium is a chemical element with the symbol Re and atomic number 75. It is a silvery-white, heavy, third-row transition metal in group 7 of the periodic table. With an average concentration of 1 part per billion (ppb), rhenium is one of the rarest elements in the Earth's crust. The free element has the third-highest melting point and highest boiling point of any element. Rhenium resembles manganese chemically and is obtained as a by-product of molybdenum and copper refinement. Rhenium shows in its compounds a wide variety of oxidation states ranging from 1 to +7. Rhenium diboride (ReB2) is a hard compound having the hardness similar to that of tungsten carbide, silicon carbide, titanium diboride or zirconium diboride. Rhenium has a stable isotope, rhenium-185, which nevertheless occurs in minority abundance, a situation found only in one other element (indium). Naturally occurring rhenium is 37.4% 185Re, which is stable, and 62.6% 187Re, which is unstable but has a very long half-life (~1010 years). This lifetime is affected by the charge state of rhenium atom. The beta decay of 187Re is used for rhenium-osmium dating of ores. The available energy for this beta decay (2.6 keV) is one of the lowest known among all radionuclides. There are twenty-six other recognized radioactive isotopes of rhenium. Rhenium in the form of rhenium-platinum alloy is used as catalyst for catalytic reforming, which is a chemical process to convert petroleum refinery naphthas with low octane ratings into high-octane liquid products. Worldwide, 30% of catalysts used for this process contain rhenium. The olefin metathesis is the other reaction for which rhenium is used as catalyst. Normally Re2O7 on alumina is used for this process. Rhenium catalysts are very resistant to chemical poisoning from nitrogen, sulfur and phosphorus, and so are used in certain kinds of hydrogenation reactions. Rhenium is a silvery-white metal with one of the highest melting points of all elements, exceeded by only tungsten and carbon. It is also one of the densest, exceeded only by platinum, iridium and osmium. Rhenium has a hexagonal close-packed crystal structure, with lattice parameters a = 276.1 pm and c = 445.6 pm. Rhenium is one of the rarest elements in Earth's crust with an average concentration of 1 ppb; other sources quote the number of 0.5 ppb making it the 77th most abundant element in Earth's crust. Rhenium is probably not found free in nature (its possible natural occurrence is uncertain), but occurs in amounts up to 0.2% in the mineral molybdenite (which is primarily molybdenum disulfide), the major commercial source, although single molybdenite samples with up to 1.88% have been found. Chile has the world's largest rhenium reserves, part of the copper ore deposits, and was the leading producer as of 2005. It was only recently that the first rhenium mineral was found and described (in 1994), a rhenium sulfide mineral (ReS2) condensing from a fumarole on Russia's Kudriavy volcano, Iturup island, in the Kurile Islands. Kudryavy discharges up to 20-60 kg rhenium per year mostly in the form of rhenium disulfide. Named rheniite, this rare mineral commands high prices among collectors.
Structure
Data?1582753144
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0013719 (Rhenium)


  Mrv0541 02271201192D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Re  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for HMDB0013719 (Rhenium)

HMDB0013719
     RDKit          3D
Rhenium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Re  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0013719 (Rhenium)


  Mrv0541 02271201192D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Re  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0013719

> <DATABASE_NAME>
hmdb

> <SMILES>
[Re]

> <INCHI_IDENTIFIER>
InChI=1S/Re

> <INCHI_KEY>
WUAPFZMCVAUBPE-UHFFFAOYSA-N

> <FORMULA>
Re

> <MOLECULAR_WEIGHT>
186.207

> <EXACT_MASS>
186.955750787

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
rhenium

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
rhenium

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0013719 (Rhenium)

HMDB0013719
     RDKit          3D
Rhenium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Re  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0013719 (Rhenium)

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1 Re   UNK     0       0.000   0.000   0.000  0.00  0.00          Re+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0013719 (Rhenium)

COMPND    HMDB0013719
HETATM    1 RE1  UNL     1       0.000   0.000   0.000  1.00  0.00          RE  
END
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SMILES for HMDB0013719 (Rhenium)

[Re]
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INCHI for HMDB0013719 (Rhenium)

InChI=1S/Re
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View in JSmolView Stereo Labels
Synonyms
ValueSource
75ReChEBI
ReChEBI
RenioChEBI
RheniumChEBI
Chemical FormulaRe
Average Molecular Weight186.207
Monoisotopic Molecular Weight186.955750787
IUPAC Namerhenium
Traditional Namerhenium
CAS Registry Number7440-15-5
SMILES
[Re]
InChI Identifier
InChI=1S/Re
InChI KeyWUAPFZMCVAUBPE-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
RoleNot Available
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge0ChemAxon
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]+142.432859911
AllCCS[M+H-H2O]+139.032859911
AllCCS[M+NH4]+145.632859911
AllCCS[M+Na]+146.532859911
AllCCS[M-H]-191.532859911
AllCCS[M+Na-2H]-203.032859911
AllCCS[M+HCOO]-215.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Rhenium[Re]696.4Standard polar33892256
Rhenium[Re]233.0Standard non polar33892256
Rhenium[Re]76.7Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhenium 10V, Positive-QTOFsplash10-000i-0900000000-31a441d597a6f4d67c772016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhenium 20V, Positive-QTOFsplash10-000i-0900000000-31a441d597a6f4d67c772016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhenium 40V, Positive-QTOFsplash10-000i-0900000000-31a441d597a6f4d67c772016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhenium 10V, Negative-QTOFsplash10-000i-0900000000-a30bd73eef7b46da3f512016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhenium 20V, Negative-QTOFsplash10-000i-0900000000-a30bd73eef7b46da3f512016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhenium 40V, Negative-QTOFsplash10-000i-0900000000-a30bd73eef7b46da3f512016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified0.000096 (0.000013-0.000340) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB030065
KNApSAcK IDNot Available
Chemspider ID22388
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkRhenium
METLIN IDNot Available
PubChem Compound23947
PDB IDRE
ChEBI ID49882
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available