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Showing NP-Card for Ruthenium (NP0049979)

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Record Information
Version2.0
Created at2022-03-17 21:21:14 UTC
Updated at2022-03-17 21:21:14 UTC
NP-MRD IDNP0049979
Secondary Accession NumbersNone
Natural Product Identification
Common NameRuthenium
DescriptionRuthenium, also known as 44RU or rutenio, 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. A polyvalent hard white metal, ruthenium is a member of the platinum group. Ruthenium is possibly neutral. Outside of the human body, Ruthenium is found, on average, in the highest concentration within a few different foods, such as yellow zucchinis, dills, and spinachs and in a lower concentration in garden tomato, carrots, and garlics. Ruthenium has also been detected, but not quantified in, cucumbers and romaine lettuces. This could make ruthenium a potential biomarker for the consumption of these foods. Most ruthenium is used for wear-resistant electrical contacts and the production of thick-film resistors. Like the other metals of the platinum group, ruthenium is inert to most chemicals. A minor application of ruthenium is its use in some platinum alloys.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0049979 (Ruthenium)

23950
  Mrv0541 02271202152D          

  1  0  0  0  0  0            999 V2000
    2.0000    0.0000    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0049979 (Ruthenium)

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3D SDF for NP0049979 (Ruthenium)
23950
  Mrv0541 02271202152D          

  1  0  0  0  0  0            999 V2000
    2.0000    0.0000    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0049979

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Ru]

> <INCHI_IDENTIFIER>
InChI=1S/Ru

> <INCHI_KEY>
KJTLSVCANCCWHF-UHFFFAOYSA-N

> <FORMULA>
Ru

> <MOLECULAR_WEIGHT>
101.07

> <EXACT_MASS>
101.904349503

> <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>
ruthenium

> <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>
ruthenium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0049979 (Ruthenium)
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PDB for NP0049979 (Ruthenium)
HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 23950                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1 Ru   UNK     0       3.733   0.000   0.000  0.00  0.00          Ru+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0049979 (Ruthenium)
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SMILES for NP0049979 (Ruthenium)
[Ru]
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INCHI for NP0049979 (Ruthenium)
InChI=1S/Ru
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View in JSmol
Synonyms
ValueSource
44RUChEBI
RuChEBI
RutenioChEBI
RutheniumChEBI
Chemical FormulaRu
Average Mass101.0700 Da
Monoisotopic Mass101.90435 Da
IUPAC Nameruthenium
Traditional Nameruthenium
CAS Registry Number7440-18-8
SMILES
[Ru]
InChI Identifier
InChI=1S/Ru
InChI KeyKJTLSVCANCCWHF-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
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
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 IDHMDB0013668  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030039  
KNApSAcK IDNot Available
Chemspider ID22390  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkRuthenium  
METLIN IDNot Available
PubChem Compound23950  
PDB IDNot Available
ChEBI ID30682  
Good Scents IDNot Available
References
General ReferencesNot Available