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Showing NP-Card for selenide (NP0334851)

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Record Information
Version2.0
Created at2024-09-10 22:46:49 UTC
Updated at2024-09-10 22:46:50 UTC
NP-MRD IDNP0334851
Secondary Accession NumbersNone
Natural Product Identification
Common Nameselenide
DescriptionSelenium, also known as se(2-), belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'. Selenium is possibly neutral. In humans, selenium is involved in selenoamino acid metabolism. Outside of the human body, Selenium has been detected, but not quantified in, several different foods, such as maitakes, sunburst squash (pattypan squash), pomes, japanese chestnuts, and oyster mushrooms. This could make selenium a potential biomarker for the consumption of these foods.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334851 (selenide)

Structure #1
  Mrv0541 02241206192D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Se  0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -2
M  END
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3D MOL for NP0334851 (selenide)

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3D SDF for NP0334851 (selenide)
Structure #1
  Mrv0541 02241206192D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Se  0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -2
M  END
> <DATABASE_ID>
NP0334851

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Se--]

> <INCHI_IDENTIFIER>
InChI=1S/Se/q-2

> <INCHI_KEY>
HMUBNCUQSSTAIB-UHFFFAOYSA-N

> <FORMULA>
Se

> <MOLECULAR_WEIGHT>
78.96

> <EXACT_MASS>
79.916521828

> <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>
selandiide

> <JCHEM_LOGP>
-0.5047

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
13.1149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
selandiide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0334851 (selenide)
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PDB for NP0334851 (selenide)
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Structure #1                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Se   UNK     0       0.000   0.000   0.000  0.00  0.00          Se-2
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0334851 (selenide)
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SMILES for NP0334851 (selenide)
[Se--]
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INCHI for NP0334851 (selenide)
InChI=1S/Se/q-2
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View in JSmol
Synonyms
ValueSource
Se(2-)ChEBI
Chemical FormulaSe
Average Mass78.9600 Da
Monoisotopic Mass79.91652 Da
IUPAC Nameselandiide
Traditional Nameselandiide
CAS Registry NumberNot Available
SMILES
[Se--]
InChI Identifier
InChI=1S/Se/q-2
InChI KeyHMUBNCUQSSTAIB-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 other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassHomogeneous other non-metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous other non 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
logP-0.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.11 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB031170  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSelenium  
METLIN IDNot Available
PubChem Compound107674  
PDB IDNot Available
ChEBI ID15076  
Good Scents IDNot Available
References
General ReferencesNot Available