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Showing metabocard for Europium (HMDB0302223)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 16:06:36 UTC
Update Date2021-11-15 21:12:11 UTC
HMDB IDHMDB0302223
Secondary Accession NumbersNone
Metabolite Identification
Common NameEuropium
DescriptionEuropium, also known as 63eu or europio, is a member of the class of compounds known as homogeneous lanthanide compounds. Homogeneous lanthanide compounds are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom. Europium can be found in a number of food items such as carrot, black-eyed pea, black walnut, and red beetroot, which makes europium a potential biomarker for the consumption of these food products. Europium is a chemical element with symbol Eu and atomic number 63. It was isolated in 1901 and is named after the continent of Europe. It is a moderately hard, silvery metal which readily oxidizes in air and water. Being a typical member of the lanthanide series, europium usually assumes the oxidation state +3, but the oxidation state +2 is also common. All europium compounds with oxidation state +2 are slightly reducing. Europium has no significant biological role and is relatively non-toxic compared to other heavy metals. Most applications of europium exploit the phosphorescence of europium compounds. Europium is one of the least abundant elements in the universe; only about 5√ó10-8% of all matter in the universe is europium.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302223 (Europium)


  Mrv0541 02241221092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Eu  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for HMDB0302223 (Europium)

HMDB0302223
     RDKit          3D
Europium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Eu  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0302223 (Europium)


  Mrv0541 02241221092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Eu  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302223

> <DATABASE_NAME>
hmdb

> <SMILES>
[Eu]

> <INCHI_IDENTIFIER>
InChI=1S/Eu

> <INCHI_KEY>
OGPBJKLSAFTDLK-UHFFFAOYSA-N

> <FORMULA>
Eu

> <MOLECULAR_WEIGHT>
151.964

> <EXACT_MASS>
152.921226219

> <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>
europium

> <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>
europium

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0302223 (Europium)

HMDB0302223
     RDKit          3D
Europium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Eu  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0302223 (Europium)

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 Eu   UNK     0       0.000   0.000   0.000  0.00  0.00          Eu+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0302223 (Europium)

COMPND    HMDB0302223
HETATM    1 EU1  UNL     1       0.000   0.000   0.000  1.00  0.00          EU  
END
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SMILES for HMDB0302223 (Europium)

[Eu]
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INCHI for HMDB0302223 (Europium)

InChI=1S/Eu
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View in JSmolView Stereo Labels
Synonyms
ValueSource
63EUChEBI
EuChEBI
EuropioChEBI
EuropiumChEBI
Chemical FormulaEu
Average Molecular Weight151.964
Monoisotopic Molecular Weight152.921226219
IUPAC Nameeuropium
Traditional Nameeuropium
CAS Registry NumberNot Available
SMILES
[Eu]
InChI Identifier
InChI=1S/Eu
InChI KeyOGPBJKLSAFTDLK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous lanthanide compounds. These are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous lanthanide compounds
Sub ClassNot Available
Direct ParentHomogeneous lanthanide compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous lanthanide
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular 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
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+151.06932859911
AllCCS[M+H-H2O]+147.68132859911
AllCCS[M+Na]+155.1432859911
AllCCS[M+NH4]+154.22832859911
AllCCS[M-H]-222.00432859911
AllCCS[M+Na-2H]-233.82932859911
AllCCS[M+HCOO]-246.69932859911

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Europium 10V, Positive-QTOFsplash10-0udi-0900000000-0420b380c2f4471ccab62016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Europium 20V, Positive-QTOFsplash10-0udi-0900000000-0420b380c2f4471ccab62016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Europium 40V, Positive-QTOFsplash10-0udi-0900000000-0420b380c2f4471ccab62016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Europium 10V, Negative-QTOFsplash10-0udi-0900000000-b11958da68c17954865b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Europium 20V, Negative-QTOFsplash10-0udi-0900000000-b11958da68c17954865b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Europium 40V, Negative-QTOFsplash10-0udi-0900000000-b11958da68c17954865b2016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003769
KNApSAcK IDNot Available
Chemspider ID22417
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound23981
PDB IDNot Available
ChEBI ID32999
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available