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Showing NP-Card for Samarium (NP0046249)

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Record Information
Version2.0
Created at2022-03-17 19:54:59 UTC
Updated at2022-03-17 19:54:59 UTC
NP-MRD IDNP0046249
Secondary Accession NumbersNone
Natural Product Identification
Common NameSamarium
Description1,2-Diacylglycerol-LD-SM-pool, also known as 62SM or samario, 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. 1,2-Diacylglycerol-LD-SM-pool is possibly neutral. 1,2-Diacylglycerol-LD-SM-pool has been used in trials studying the treatment and prevention of Pain, Cancer, Metastasis, Prostate Cancer, and Metastatic Osteosarcoma, among others. Outside of the human body, 1,2-Diacylglycerol-LD-SM-pool is found, on average, in the highest concentration within a few different foods, such as almonds, black walnuts, and common hazelnuts and in a lower concentration in coconuts, cashew nuts, and spinachs. 1,2-Diacylglycerol-LD-SM-pool has also been detected, but not quantified in, romaine lettuces. This could make 1,2-diacylglycerol-LD-SM-pool a potential biomarker for the consumption of these foods.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046249 (Samarium)


  Mrv0541 02241220572D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Sm  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0046249 (Samarium)

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3D SDF for NP0046249 (Samarium)

  Mrv0541 02241220572D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Sm  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046249

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Sm]

> <INCHI_IDENTIFIER>
InChI=1S/Sm

> <INCHI_KEY>
KZUNJOHGWZRPMI-UHFFFAOYSA-N

> <FORMULA>
Sm

> <MOLECULAR_WEIGHT>
150.36

> <EXACT_MASS>
151.919728244

> <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>
samarium

> <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>
samarium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046249 (Samarium)
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PDB for NP0046249 (Samarium)
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 Sm   UNK     0       0.000   0.000   0.000  0.00  0.00          Sm+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046249 (Samarium)
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SMILES for NP0046249 (Samarium)
[Sm]
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INCHI for NP0046249 (Samarium)
InChI=1S/Sm
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View in JSmol
Synonyms
ValueSource
62SmChEBI
SamarioChEBI
SamariumChEBI
SmChEBI
Chemical FormulaSm
Average Mass150.3600 Da
Monoisotopic Mass151.91973 Da
IUPAC Namesamarium
Traditional Namesamarium
CAS Registry Number7440-19-9
SMILES
[Sm]
InChI Identifier
InChI=1S/Sm
InChI KeyKZUNJOHGWZRPMI-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
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
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 IDHMDB0062272  
DrugBank IDDB12403  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003784  
KNApSAcK IDNot Available
Chemspider ID22391  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSamarium  
METLIN IDNot Available
PubChem Compound23951  
PDB IDNot Available
ChEBI ID33374  
Good Scents IDNot Available
References
General ReferencesNot Available