Showing metabocard for methanetellurite (MMDBc0056080)

Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-06-17 20:16:01 UTC
Update Date2025-10-07 16:09:32 UTC
Metabolite IDMMDBc0056080
Metabolite Identification
Common Namemethanetellurite
Descriptionmethanetellurite is a tellurium-containing compound classified as a metabolite. There is limited literature available on methanetellurite, indicating that it is not extensively studied in biomedical research.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007fae00e93698>


  Mrv1652306172222162D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Te  0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  2  0  0  0  0
M  CHG  1   2  -1
M  END
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3D MOL for #<Metabolite:0x00007fae00e93698>

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3D SDF for #<Metabolite:0x00007fae00e93698>

  Mrv1652306172222162D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Te  0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <DATABASE_ID>
MMDBc0056080

> <DATABASE_NAME>
MIME

> <SMILES>
C[Te]([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH4O3Te/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1

> <INCHI_KEY>
DPPANEFZFQYGIG-UHFFFAOYSA-M

> <FORMULA>
CH3O3Te

> <MOLECULAR_WEIGHT>
190.63

> <EXACT_MASS>
192.91499029

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
7.754111607304407

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanetelluronate

> <JCHEM_LOGP>
-1.2273

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-4.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
57.2

> <JCHEM_REFRACTIVITY>
9.654

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methanetelluronate

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for #<Metabolite:0x00007fae00e93698>
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PDB for #<Metabolite:0x00007fae00e93698>
HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.000  -1.540   0.000  0.00  0.00           O-1
HETATM    3  O   UNK     0      -1.540   0.000   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       1.540   0.000   0.000  0.00  0.00           O+0
HETATM    5 Te   UNK     0       0.000   0.000   0.000  0.00  0.00          Te+0
CONECT    1    5                                                            
CONECT    2    5                                                            
CONECT    3    5                                                            
CONECT    4    5                                                            
CONECT    5    1    2    3    4                                             
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END

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3D PDB for #<Metabolite:0x00007fae00e93698>
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SMILES for #<Metabolite:0x00007fae00e93698>
C[Te]([O-])(=O)=O
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INCHI for #<Metabolite:0x00007fae00e93698>
InChI=1S/CH4O3Te/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1
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Synonyms
ValueSource
MethanetelluriteChEBI
Methylated telluriteChEBI
Methanetelluronic acidGenerator
Molecular FormulaCH3O3Te
Average Mass190.63
Monoisotopic Mass192.91499029
IUPAC Namemethanetelluronate
Traditional Namemethanetelluronate
CAS Registry NumberNot Available
SMILES
C[Te]([O-])(=O)=O
InChI Identifier
InChI=1S/CH4O3Te/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1
InChI KeyDPPANEFZFQYGIG-UHFFFAOYSA-M