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Showing NP-Card for Thorium (NP0046253)

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Record Information
Version1.0
Created at2022-03-17 19:55:03 UTC
Updated at2022-03-17 19:55:03 UTC
NP-MRD IDNP0046253
Secondary Accession NumbersNone
Natural Product Identification
Common NameThorium
DescriptionThorium, also known as 90TH or torio, belongs to the class of inorganic compounds known as homogeneous actinide compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Thorium is a natural radioactive chemical element with the symbol Th and atomic number 90. Thorium is possibly neutral. Outside of the human body, Thorium is found, on average, in the highest concentration within a few different foods, such as pistachio, black walnuts, and cashew nuts and in a lower concentration in almonds, common hazelnuts, and butternuts. Thorium has also been detected, but not quantified in, coconuts. This could make thorium a potential biomarker for the consumption of these foods. Treatment reversing the effects of irradiation is currently not possible. This leads to loss of normal cell and tissue homeostasis, and development of malignancy. In nature, virtually all thorium is found as thorium-232, and it decays by emitting an alpha particle, and has a half-life of about 14.05 Billion years (other, trace-level isotopes of thorium are short-lived intermediates of decay chains). Thorium is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. Once in the body thorium accumulates mainly in the liver, spleen, lymph nodes, lungs, and bone. Exposure to thorium internally leads to increased risk of liver diseases.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0046253 (Thorium)


  Mrv0541 09051416182D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Th  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0046253 (Thorium)

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3D SDF for NP0046253 (Thorium)

  Mrv0541 09051416182D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Th  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046253

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Th]

> <INCHI_IDENTIFIER>
InChI=1S/Th

> <INCHI_KEY>
ZSLUVFAKFWKJRC-UHFFFAOYSA-N

> <FORMULA>
Th

> <MOLECULAR_WEIGHT>
232.0381

> <EXACT_MASS>
232.03805036

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
thorium

> <JCHEM_LOGP>
0.0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
thorium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046253 (Thorium)
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PDB for NP0046253 (Thorium)
HEADER    PROTEIN                                 05-SEP-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-14         0                                  
HETATM    1 Th   UNK     0       0.000   0.000   0.000  0.00  0.00          Th+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046253 (Thorium)
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SMILES for NP0046253 (Thorium)
[Th]
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INCHI for NP0046253 (Thorium)
InChI=1S/Th
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View in JSmol
Synonyms
ValueSource
90THChEBI
ThChEBI
TorioChEBI
Thorium-232HMDB
232TH RadioisotopeMeSH
TH-232 RadioisotopeMeSH
Chemical FormulaTh
Average Mass232.0381 Da
Monoisotopic Mass232.03805 Da
IUPAC Namethorium
Traditional Namethorium
CAS Registry Number7440-29-1
SMILES
[Th]
InChI Identifier
InChI=1S/Th
InChI KeyZSLUVFAKFWKJRC-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anacardium occidentaleFooDB
Cocos nuciferaFooDB
Corylus avellanaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Pistacia veraFooDB
Prunus dulcisFooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous actinide 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 actinide compounds  
Sub ClassNot Available
Direct ParentHomogeneous actinide compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous actinide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted 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
HMDB IDHMDB0029215  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003788  
KNApSAcK IDNot Available
Chemspider ID22399  
KEGG Compound IDC19157  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkThorium  
METLIN IDNot Available
PubChem Compound23960  
PDB IDNot Available
ChEBI ID33385  
Good Scents IDNot Available
References
General ReferencesNot Available