Np mrd loader

Showing NP-Card for Zirconium (NP0046394)

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Record Information
Version2.0
Created at2022-03-17 19:57:19 UTC
Updated at2022-03-17 19:57:19 UTC
NP-MRD IDNP0046394
Secondary Accession NumbersNone
Natural Product Identification
Common NameZirconium
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046394 (Zirconium)


  Mrv1652305221920102D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0046394 (Zirconium)

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3D SDF for NP0046394 (Zirconium)

  Mrv1652305221920102D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046394

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Zr]

> <INCHI_IDENTIFIER>
InChI=1S/Zr

> <INCHI_KEY>
QCWXUUIWCKQGHC-UHFFFAOYSA-N

> <FORMULA>
Zr

> <MOLECULAR_WEIGHT>
91.224

> <EXACT_MASS>
89.904703679

> <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>
zirconium

> <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>
zirconium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046394 (Zirconium)
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PDB for NP0046394 (Zirconium)
HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1 Zr   UNK     0       0.000   0.000   0.000  0.00  0.00          Zr+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046394 (Zirconium)
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SMILES for NP0046394 (Zirconium)
[Zr]
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INCHI for NP0046394 (Zirconium)
InChI=1S/Zr
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View in JSmol
Synonyms
ValueSource
40ZrChEBI
CirconioChEBI
ZirconioChEBI
ZirkoniumChEBI
ZrChEBI
Chemical FormulaZr
Average Mass91.2240 Da
Monoisotopic Mass89.90470 Da
IUPAC Namezirconium
Traditional Namezirconium
CAS Registry Number7440-67-7
SMILES
[Zr]
InChI Identifier
InChI=1S/Zr
InChI KeyQCWXUUIWCKQGHC-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Allium cepaFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Asparagus officinalisFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica oleracea var. capitataFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
CervidaeFooDB
Cervus canadensisFooDB
Cichorium endiviaFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
ColumbaFooDB
ColumbidaeFooDB
Cucumis meloFooDB
Cucumis sativus L.FooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Diospyros virginianaFooDB
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Glycine maxFooDB
Lactuca sativaFooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Malus pumilaFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
Petroselinum crispumFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Prunus domesticaFooDB
Prunus persicaFooDB
Pyrus communisFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum tuberosumFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vitis vinifera L.FooDB
Zea mays L.FooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous transition metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous transition 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 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 IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB004189  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkZirconium  
METLIN IDNot Available
PubChem Compound23995  
PDB IDNot Available
ChEBI ID33342  
Good Scents IDNot Available
References
General ReferencesNot Available