Np mrd loader

Showing NP-Card for Vanadium (NP0046256)

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Record Information
Version1.0
Created at2022-03-17 19:55:06 UTC
Updated at2022-03-17 19:55:06 UTC
NP-MRD IDNP0046256
Secondary Accession NumbersNone
Natural Product Identification
Common NameVanadium
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046256 (Vanadium)


  Mrv0541 02241221182D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0046256 (Vanadium)

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3D SDF for NP0046256 (Vanadium)

  Mrv0541 02241221182D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046256

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[V]

> <INCHI_IDENTIFIER>
InChI=1S/V

> <INCHI_KEY>
LEONUFNNVUYDNQ-UHFFFAOYSA-N

> <FORMULA>
V

> <MOLECULAR_WEIGHT>
50.9415

> <EXACT_MASS>
50.943963675

> <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>
vanadium

> <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>
vanadium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046256 (Vanadium)
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PDB for NP0046256 (Vanadium)
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  V   UNK     0       0.000   0.000   0.000  0.00  0.00           V+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046256 (Vanadium)
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SMILES for NP0046256 (Vanadium)
[V]
Download
INCHI for NP0046256 (Vanadium)
InChI=1S/V
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View in JSmol
Synonyms
ValueSource
23VChEBI
VChEBI
VanadioChEBI
Vanadium 51MeSH
Vanadium-51MeSH
Chemical FormulaV
Average Mass50.9415 Da
Monoisotopic Mass50.94396 Da
IUPAC Namevanadium
Traditional Namevanadium
CAS Registry Number22541-77-1
SMILES
[V]
InChI Identifier
InChI=1S/V
InChI KeyLEONUFNNVUYDNQ-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anacardium occidentaleFooDB
Anethum graveolensFooDB
Asparagus officinalisFooDB
Bertholletia excelsaFooDB
Brassica oleracea var. capitataFooDB
Cocos nuciferaFooDB
Corylus avellanaFooDB
Diospyros virginianaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Lactuca sativaFooDB
Linum usitatissimumFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
Pimenta dioicaFooDB
Pistacia veraFooDB
Prunus dulcisFooDB
Pyrus communisFooDB
Solanum lycopersicum var. lycopersicumFooDB
Vigna unguiculata ssp. unguiculataFooDB
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 IDFDB003792  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkVanadium  
METLIN IDNot Available
PubChem Compound23990  
PDB IDNot Available
ChEBI ID27698  
Good Scents IDNot Available
References
General ReferencesNot Available