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Showing metabocard for Holmium (HMDB0303934)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 05:47:06 UTC
Update Date2021-09-24 05:47:06 UTC
HMDB IDHMDB0303934
Secondary Accession NumbersNone
Metabolite Identification
Common NameHolmium
DescriptionHolmium, also known as 67ho or holmio, 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. Holmium is found in the minerals monazite and gadolinite and is usually commercially extracted from monazite using ion-exchange techniques. Its compounds in nature and in nearly all of its laboratory chemistry are trivalently oxidized, containing Ho(III) ions. Trivalent holmium ions have fluorescent properties similar to many other rare-earth ions (while yielding their own set of unique emission light lines), and thus are used in the same way as some other rare earths in certain laser and glass-colorant applications .
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303934 (Holmium)


  Mrv0541 05041405212D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ho  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for HMDB0303934 (Holmium)

HMDB0303934
     RDKit          3D
Holmium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Ho  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0303934 (Holmium)


  Mrv0541 05041405212D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ho  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303934

> <DATABASE_NAME>
hmdb

> <SMILES>
[Ho]

> <INCHI_IDENTIFIER>
InChI=1S/Ho

> <INCHI_KEY>
KJZYNXUDTRRSPN-UHFFFAOYSA-N

> <FORMULA>
Ho

> <MOLECULAR_WEIGHT>
164.9303

> <EXACT_MASS>
164.930319169

> <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>
holmium

> <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>
holmium

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0303934 (Holmium)

HMDB0303934
     RDKit          3D
Holmium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Ho  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0303934 (Holmium)

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1 Ho   UNK     0       0.000   0.000   0.000  0.00  0.00          Ho+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0303934 (Holmium)

COMPND    HMDB0303934
HETATM    1 HO1  UNL     1       0.000   0.000   0.000  1.00  0.00          HO  
END
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SMILES for HMDB0303934 (Holmium)

[Ho]
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INCHI for HMDB0303934 (Holmium)

InChI=1S/Ho
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View in JSmolView Stereo Labels
Synonyms
ValueSource
67HOChEBI
HoChEBI
HolmioChEBI
HolmiumChEBI
Chemical FormulaHo
Average Molecular Weight164.9303
Monoisotopic Molecular Weight164.930319169
IUPAC Nameholmium
Traditional Nameholmium
CAS Registry NumberNot Available
SMILES
[Ho]
InChI Identifier
InChI=1S/Ho
InChI KeyKJZYNXUDTRRSPN-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
DispositionNot Available
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]+153.30232859911
AllCCS[M+H-H2O]+149.94632859911
AllCCS[M+Na]+157.33332859911
AllCCS[M+NH4]+156.43132859911
AllCCS[M-H]-228.4732859911
AllCCS[M+Na-2H]-240.2732859911
AllCCS[M+HCOO]-253.1132859911

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 IDFDB030057
KNApSAcK IDNot Available
Chemspider ID22424
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound23988
PDB IDNot Available
ChEBI ID49648
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