Np mrd loader

Showing NP-Card for Tantalum (NP0046252)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2022-03-17 19:55:02 UTC
Updated at2022-03-17 19:55:02 UTC
NP-MRD IDNP0046252
Secondary Accession NumbersNone
Natural Product Identification
Common NameTantalum
DescriptionNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0046252 (Tantalum)


  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
M  END
Download

3D MOL for NP0046252 (Tantalum)

Download
3D SDF for NP0046252 (Tantalum)

  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046252

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Ta]

> <INCHI_IDENTIFIER>
InChI=1S/Ta

> <INCHI_KEY>
GUVRBAGPIYLISA-UHFFFAOYSA-N

> <FORMULA>
Ta

> <MOLECULAR_WEIGHT>
180.9479

> <EXACT_MASS>
180.947996346

> <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>
tantalum

> <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>
tantalum

> <JCHEM_VEBER_RULE>
1

$$$$

Download
3D-SDF for NP0046252 (Tantalum)
Download
PDB for NP0046252 (Tantalum)
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 Ta   UNK     0       0.000   0.000   0.000  0.00  0.00          Ta+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

Download
3D PDB for NP0046252 (Tantalum)
Download
SMILES for NP0046252 (Tantalum)
[Ta]
Download
INCHI for NP0046252 (Tantalum)
InChI=1S/Ta
Download
View in JSmol
Synonyms
ValueSource
73TaChEBI
TaChEBI
TantalChEBI
TantaleChEBI
TantaloChEBI
Tantalum 181MeSH
Tantalum-181MeSH
Chemical FormulaTa
Average Mass180.9479 Da
Monoisotopic Mass180.94800 Da
IUPAC Nametantalum
Traditional Nametantalum
CAS Registry Number7440-25-7
SMILES
[Ta]
InChI Identifier
InChI=1S/Ta
InChI KeyGUVRBAGPIYLISA-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anacardium occidentaleFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Bertholletia excelsaFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
CervidaeFooDB
Cervus canadensisFooDB
Cocos nuciferaFooDB
ColumbaFooDB
ColumbidaeFooDB
Corylus avellanaFooDB
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Prunus dulcisFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
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 IDDB12859  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003787  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTantalum  
METLIN IDNot Available
PubChem Compound23956  
PDB IDNot Available
ChEBI ID33348  
Good Scents IDNot Available
References
General ReferencesNot Available