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Showing metabocard for Dysprosium (HMDB0303933)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 05:46:39 UTC
Update Date2021-09-24 05:46:39 UTC
HMDB IDHMDB0303933
Secondary Accession NumbersNone
Metabolite Identification
Common NameDysprosium
DescriptionDysprosium, also known as 66dy or disprosio, 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. Dysprosium can be found in red beetroot, romaine lettuce, and spinach, which makes dysprosium a potential biomarker for the consumption of these food products. Dysprosium was first identified in 1886 by Paul Émile Lecoq de Boisbaudran, but it was not isolated in pure form until the development of ion exchange techniques in the 1950s. Dysprosium has relatively few applications where it cannot be replaced by other chemical elements. It is used for its high thermal neutron absorption cross-section in making control rods in nuclear reactors, for its high magnetic susceptibility in data storage applications, and as a component of Terfenol-D (a magnetostrictive material). Soluble dysprosium salts are mildly toxic, while the insoluble salts are considered non-toxic .
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303933 (Dysprosium)


  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Dy  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for HMDB0303933 (Dysprosium)

HMDB0303933
     RDKit          3D
Dysprosium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Dy  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0303933 (Dysprosium)


  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Dy  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303933

> <DATABASE_NAME>
hmdb

> <SMILES>
[Dy]

> <INCHI_IDENTIFIER>
InChI=1S/Dy

> <INCHI_KEY>
KBQHZAAAGSGFKK-UHFFFAOYSA-N

> <FORMULA>
Dy

> <MOLECULAR_WEIGHT>
162.5

> <EXACT_MASS>
163.92918

> <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>
dysprosium

> <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>
dysprosium

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0303933 (Dysprosium)

HMDB0303933
     RDKit          3D
Dysprosium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Dy  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0303933 (Dysprosium)

HEADER    PROTEIN                                 03-MAR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAR-15         0                                  
HETATM    1 Dy   UNK     0       0.000   0.000   0.000  0.00  0.00          Dy+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0303933 (Dysprosium)

COMPND    HMDB0303933
HETATM    1 DY1  UNL     1       0.000   0.000   0.000  1.00  0.00          DY  
END
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SMILES for HMDB0303933 (Dysprosium)

[Dy]
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INCHI for HMDB0303933 (Dysprosium)

InChI=1S/Dy
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View in JSmolView Stereo Labels
Synonyms
ValueSource
66DYChEBI
DisprosioChEBI
DyChEBI
DysprosiumChEBI
Chemical FormulaDy
Average Molecular Weight162.5
Monoisotopic Molecular Weight163.92918
IUPAC Namedysprosium
Traditional Namedysprosium
CAS Registry NumberNot Available
SMILES
[Dy]
InChI Identifier
InChI=1S/Dy
InChI KeyKBQHZAAAGSGFKK-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]+153.11732859911
AllCCS[M+H-H2O]+149.75832859911
AllCCS[M+Na]+157.15132859911
AllCCS[M+NH4]+156.24832859911
AllCCS[M-H]-227.93132859911
AllCCS[M+Na-2H]-239.73332859911
AllCCS[M+HCOO]-252.57632859911

Predicted Kovats Retention Indices

Not Available
Spectra
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 IDFDB030056
KNApSAcK IDNot Available
Chemspider ID22355
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID33377
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