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Showing metabocard for Terbium (HMDB0303932)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 05:46:08 UTC
Update Date2021-09-24 05:46:08 UTC
HMDB IDHMDB0303932
Secondary Accession NumbersNone
Metabolite Identification
Common NameTerbium
DescriptionTerbium, also known as 65tb or terbio, is a member of the class of compounds known as homogeneous lanthanide compounds. Homogeneous lanthanide compounds are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom. Terbium is a chemical element with symbol Tb and atomic number 65. It is a silvery-white, rare earth metal that is malleable, ductile, and soft enough to be cut with a knife. The ninth member of the lanthanide series, terbium is a fairly electropositive metal that reacts with water, evolving hydrogen gas. Terbium is never found in nature as a free element, but it is contained in many minerals, including cerite, gadolinite, monazite, xenotime, and euxenite .
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303932 (Terbium)


  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Tb  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for HMDB0303932 (Terbium)

HMDB0303932
     RDKit          3D
Terbium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Tb  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0303932 (Terbium)


  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Tb  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303932

> <DATABASE_NAME>
hmdb

> <SMILES>
[Tb]

> <INCHI_IDENTIFIER>
InChI=1S/Tb

> <INCHI_KEY>
GZCRRIHWUXGPOV-UHFFFAOYSA-N

> <FORMULA>
Tb

> <MOLECULAR_WEIGHT>
158.9254

> <EXACT_MASS>
158.92535

> <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>
terbium

> <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>
terbium

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0303932 (Terbium)

HMDB0303932
     RDKit          3D
Terbium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Tb  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0303932 (Terbium)

HEADER    PROTEIN                                 03-MAR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAR-15         0                                  
HETATM    1 Tb   UNK     0       0.000   0.000   0.000  0.00  0.00          Tb+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0303932 (Terbium)

COMPND    HMDB0303932
HETATM    1 TB1  UNL     1       0.000   0.000   0.000  1.00  0.00          TB  
END
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SMILES for HMDB0303932 (Terbium)

[Tb]
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INCHI for HMDB0303932 (Terbium)

InChI=1S/Tb
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View in JSmolView Stereo Labels
Synonyms
ValueSource
65TBChEBI
TbChEBI
TerbioChEBI
TerbiumChEBI
Chemical FormulaTb
Average Molecular Weight158.9254
Monoisotopic Molecular Weight158.92535
IUPAC Nameterbium
Traditional Nameterbium
CAS Registry NumberNot Available
SMILES
[Tb]
InChI Identifier
InChI=1S/Tb
InChI KeyGZCRRIHWUXGPOV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous lanthanide compounds. These are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous lanthanide compounds
Sub ClassNot Available
Direct ParentHomogeneous lanthanide compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous lanthanide
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular 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
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+152.18832859911
AllCCS[M+H-H2O]+148.81632859911
AllCCS[M+Na]+156.23932859911
AllCCS[M+NH4]+155.33232859911
AllCCS[M-H]-225.23832859911
AllCCS[M+Na-2H]-237.05132859911
AllCCS[M+HCOO]-249.90632859911

Predicted Kovats Retention Indices

Not Available
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB030055
KNApSAcK IDNot Available
Chemspider ID22397
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound23958
PDB IDNot Available
ChEBI ID33376
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available