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Showing NP-Card for Beryllium (NP0049957)

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Record Information
Version2.0
Created at2022-03-17 21:20:51 UTC
Updated at2022-03-17 21:20:51 UTC
NP-MRD IDNP0049957
Secondary Accession NumbersNone
Natural Product Identification
Common NameBeryllium
DescriptionBeryllium, also known as be(2+) or beryllium atom, belongs to the class of inorganic compounds known as homogeneous alkaline earth metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkaline earth metal atom. Beryllium is possibly neutral. Outside of the human body, Beryllium is found, on average, in the highest concentration within spinachs. This could make beryllium a potential biomarker for the consumption of these foods. Beryllium was first documented in 2006 (PMID: 16697706). Beryllium is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound (PMID: 17094767) (PMID: 16231190).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0049957 (Beryllium)


  Mrv0541 02231219312D          

  1  0  0  0  0  0            999 V2000
   19.1583  -13.2683    0.0000 Be  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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3D MOL for NP0049957 (Beryllium)

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3D SDF for NP0049957 (Beryllium)

  Mrv0541 02231219312D          

  1  0  0  0  0  0            999 V2000
   19.1583  -13.2683    0.0000 Be  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
NP0049957

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Be++]

> <INCHI_IDENTIFIER>
InChI=1S/Be/q+2

> <INCHI_KEY>
PWOSZCQLSAMRQW-UHFFFAOYSA-N

> <FORMULA>
Be

> <MOLECULAR_WEIGHT>
9.0122

> <EXACT_MASS>
9.012182135

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
beryllium(2+) ion

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
beryllium(2+) ion

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0049957 (Beryllium)
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PDB for NP0049957 (Beryllium)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Be   UNK     0      35.762 -24.767   0.000  0.00  0.00          Be+2
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0049957 (Beryllium)
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SMILES for NP0049957 (Beryllium)
[Be++]
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INCHI for NP0049957 (Beryllium)
InChI=1S/Be/q+2
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Synonyms
ValueSource
Be(2+)ChEBI
BeHMDB
Beryllium atomHMDB
Beryllium elementHMDB
Beryllium metallicumHMDB
Beryllium-9HMDB
GluciniumHMDB
GlucinumHMDB
Chemical FormulaBe
Average Mass9.0122 Da
Monoisotopic Mass9.01218 Da
IUPAC Nameberyllium(2+) ion
Traditional Nameberyllium(2+) ion
CAS Registry Number7440-41-7
SMILES
[Be++]
InChI Identifier
InChI=1S/Be/q+2
InChI KeyPWOSZCQLSAMRQW-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 alkaline earth metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkaline earth metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous alkaline earth metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous alkaline earth metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous alkaline earth 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 Charge2ChemAxon
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 IDHMDB0002387  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022990  
KNApSAcK IDNot Available
Chemspider ID96830  
KEGG Compound IDC16460  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBeryllium  
METLIN IDNot Available
PubChem Compound107649  
PDB IDNot Available
ChEBI ID30502  
Good Scents IDNot Available
References
General References
  1. Kreiss K, Day GA, Schuler CR: Beryllium: a modern industrial hazard. Annu Rev Public Health. 2007;28:259-77. doi: 10.1146/annurev.publhealth.28.021406.144011. [PubMed:17094767  ] 
  2. Amicosante M, Fontenot AP: T cell recognition in chronic beryllium disease. Clin Immunol. 2006 Nov;121(2):134-43. doi: 10.1016/j.clim.2006.03.012. Epub 2006  May 12. [PubMed:16697706  ] 
  3. Day GA, Stefaniak AB, Weston A, Tinkle SS: Beryllium exposure: dermal and immunological considerations. Int Arch Occup Environ Health. 2006 Feb;79(2):161-4. doi: 10.1007/s00420-005-0024-0. Epub 2005 Oct 18. [PubMed:16231190  ]