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Showing NP-Card for Cesium (NP0046239)

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Record Information
Version2.0
Created at2022-03-17 19:54:50 UTC
Updated at2022-03-17 19:54:50 UTC
NP-MRD IDNP0046239
Secondary Accession NumbersNone
Natural Product Identification
Common NameCesium
DescriptionCesium, also known as 55CS or cesio, belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom. Cesium is possibly neutral. Outside of the human body, Cesium is found, on average, in the highest concentration within a few different foods, such as brazil nuts, milk (cow), and pistachio and in a lower concentration in common hazelnuts, green bell peppers, and red beetroots. Cesium has also been detected, but not quantified in, several different foods, such as black-eyed pea, cow milks, cow milks, cow milks, and cow milks. This could make cesium a potential biomarker for the consumption of these foods. Cesium is a potentially toxic compound.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046239 (Cesium)


  Mrv0541 02241221162D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cs  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D MOL for NP0046239 (Cesium)

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3D SDF for NP0046239 (Cesium)

  Mrv0541 02241221162D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cs  0  0  0  0  0 15  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046239

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Cs]

> <INCHI_IDENTIFIER>
InChI=1S/Cs

> <INCHI_KEY>
TVFDJXOCXUVLDH-UHFFFAOYSA-N

> <FORMULA>
Cs

> <MOLECULAR_WEIGHT>
132.9055

> <EXACT_MASS>
132.90544687

> <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>
caesium

> <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>
caesium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046239 (Cesium)
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PDB for NP0046239 (Cesium)
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Cs   UNK     0       0.000   0.000   0.000  0.00  0.00          Cs+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046239 (Cesium)
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SMILES for NP0046239 (Cesium)
[Cs]
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INCHI for NP0046239 (Cesium)
InChI=1S/Cs
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View in JSmol
Synonyms
ValueSource
55CSChEBI
CaesiumChEBI
CesioChEBI
CsChEBI
ZaesiumChEBI
CasiumHMDB
ZasiumHMDB
CesiumChEBI
Cesium 133MeSH
Cesium-133MeSH
Chemical FormulaCs
Average Mass132.9055 Da
Monoisotopic Mass132.90545 Da
IUPAC Namecaesium
Traditional Namecaesium
CAS Registry Number7440-46-2
SMILES
[Cs]
InChI Identifier
InChI=1S/Cs
InChI KeyTVFDJXOCXUVLDH-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anacardium occidentaleFooDB
Bertholletia excelsaFooDB
Cocos nuciferaFooDB
Corylus avellanaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Pistacia veraFooDB
Prunus dulcisFooDB
Vigna unguiculata ssp. unguiculataFooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous alkali metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous alkali metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous alkali metal
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 IDHMDB0013669  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003768  
KNApSAcK IDNot Available
Chemspider ID4510778  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCaesium  
METLIN IDNot Available
PubChem Compound5354618  
PDB IDNot Available
ChEBI ID30514  
Good Scents IDNot Available
References
General ReferencesNot Available