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Showing metabocard for Tellurium (HMDB0001854)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-02-21 07:56:51 UTC
Update Date2022-03-07 02:49:10 UTC
HMDB IDHMDB0001854
Secondary Accession Numbers
  • HMDB01854
Metabolite Identification
Common NameTellurium
DescriptionTellurium is a trace element that belongs chemically to the VIa group in the periodic chemical table that has the symbol Te and atomic number 52. Tellurium is a brittle silver-white metalloid which looks like tin, and is related to selenium and sulfur. Physiologically, it exists as an ion in the body. The ingestion of tellurium compounds has been known to be associated with a garlic-like odor of the breath, thus indicating that tellurium is absorbed by the gut, metabolized by tissues, and excreted through routes other than the feces. Little is known about the Te biological activity, particularly with respect to potential chemical interactions with Se-containing components in the organism. Tellurium is a non-competitive inhibitor of squalene epoxidase and has been associated with neuropathy. Late fetal stages of prenatal development appeared uniquely sensitive to organic tellurium exposure. All tellurium compounds are highly toxic. (PMID: 17873396 , 15596254 , 10048717 ).
Structure
Data?1582752212
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001854 (Tellurium)


  Mrv0541 02231219142D          

  1  0  0  0  0  0            999 V2000
   26.3295  -15.3063    0.0000 Te  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 HMDB0001854 (Tellurium)

HMDB0001854
     RDKit          3D
Tellurium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Te  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 HMDB0001854 (Tellurium)


  Mrv0541 02231219142D          

  1  0  0  0  0  0            999 V2000
   26.3295  -15.3063    0.0000 Te  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   4
M  END
> <DATABASE_ID>
HMDB0001854

> <DATABASE_NAME>
hmdb

> <SMILES>
[Te+4]

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

> <INCHI_KEY>
LHBANKJAFPUZQV-UHFFFAOYSA-N

> <FORMULA>
Te

> <MOLECULAR_WEIGHT>
127.6

> <EXACT_MASS>
129.906222753

> <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>
λ⁴-tellanetetraylium

> <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>
λ⁴-tellanetetraylium

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0001854 (Tellurium)

HMDB0001854
     RDKit          3D
Tellurium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Te  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 HMDB0001854 (Tellurium)

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 Te   UNK     0      49.148 -28.572   0.000  0.00  0.00          Te+4
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0001854 (Tellurium)

COMPND    HMDB0001854
HETATM    1 TE1  UNL     1       0.000   0.000   0.000  1.00  0.00          TE4+
END
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SMILES for HMDB0001854 (Tellurium)

[Te+4]
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INCHI for HMDB0001854 (Tellurium)

InChI=1S/Te/q+4
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Aurum paradoxumHMDB
TelloyHMDB
TellurHMDB
Tellurium atomHMDB
Tellurium elementHMDB
Chemical FormulaTe
Average Molecular Weight127.6
Monoisotopic Molecular Weight129.906222753
IUPAC Nameλ⁴-tellanetetraylium
Traditional Nameλ⁴-tellanetetraylium
CAS Registry Number13494-80-9
SMILES
[Te+4]
InChI Identifier
InChI=1S/Te/q+4
InChI KeyLHBANKJAFPUZQV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous metalloid compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous metalloid compounds
Sub ClassNot Available
Direct ParentHomogeneous metalloid compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous metalloid
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point449.5 °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]+123.83632859911
AllCCS[M-H]-174.39632859911
AllCCS[M+H]+123.832859911
AllCCS[M+H-H2O]+120.332859911
AllCCS[M+NH4]+127.132859911
AllCCS[M+Na]+128.032859911
AllCCS[M-H]-174.432859911
AllCCS[M+Na-2H]-186.232859911
AllCCS[M+HCOO]-199.032859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid298.8 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid972.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid465.7 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid211.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid384.0 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid244.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid353.0 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid446.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)685.4 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid718.6 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid216.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid796.7 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid320.2 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid400.1 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate725.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA416.1 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water318.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tellurium[Te+4]680.8Standard polar33892256
Tellurium[Te+4]226.3Standard non polar33892256
Tellurium[Te+4]53.8Semi standard non polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Saliva
  • Urine
Tissue Locations
  • Bile
  • Urine
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
 details
SalivaDetected and Quantified0.021 +/- 0.02 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
UrineDetected and Quantified0.494 umol/mmol creatinineAdult (>18 years old)BothNormal
      Not Available
 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003718
KNApSAcK IDNot Available
Chemspider ID103035
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTellurium
METLIN IDNot Available
PubChem Compound115151
PDB IDNot Available
ChEBI ID30452
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceDetty, Michael R.; Luss, Henry R.; McKelvey, John M.; Geer, Susan M. 12-Te-5 pertelluranes from 1,2-oxatellurolyl-1-ium halides. Synthesis, structure, and reactivity. The quest for delocalization in 10-Te-3 telluranes and 12-Te-5 pertelluranes of thiathiophthene structure. J. Org. Chem. 1986(51) p.1692-1700
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Wagner-Recio M, Toews AD, Morell P: Tellurium blocks cholesterol synthesis by inhibiting squalene metabolism: preferential vulnerability to this metabolic block leads to peripheral nervous system demyelination. J Neurochem. 1991 Dec;57(6):1891-901. [PubMed:1940905 ]
  2. Eybl V, Kotyzova D, Sykora J, Topolcan O, Pikner R, Mihaljevic M, Brtko J, Glattre E: Effects of selenium and tellurium on the activity of selenoenzymes glutathione peroxidase and type I iodothyronine deiodinase, trace element thyroid level, and thyroid hormone status in rats. Biol Trace Elem Res. 2007 Summer;117(1-3):105-14. [PubMed:17873396 ]
  3. Stangherlin EC, Favero AM, Zeni G, Rocha JB, Nogueira CW: Teratogenic vulnerability of Wistar rats to diphenyl ditelluride. Toxicology. 2005 Feb 14;207(2):231-9. [PubMed:15596254 ]
  4. Gajkowska B, Smialek M, Ostrowski RP, Piotrowski P, Frontczak-Baniewicz M: The experimental squalene encephaloneuropathy in the rat. Exp Toxicol Pathol. 1999 Jan;51(1):75-80. [PubMed:10048717 ]