Record Information
Version1.0
Creation Date2016-10-03 18:40:29 UTC
Update Date2020-06-04 23:02:33 UTC
BMDB IDBMDB0013667
Secondary Accession Numbers
  • BMDB13667
Metabolite Identification
Common NameYttrium
DescriptionYttrium, also known as 39Y or ytrio, 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. Yttrium is possibly neutral.
Structure
Thumb
Synonyms
ValueSource
39YChEBI
YChEBI
YtrioChEBI
Yttrium y 90 epratuzumabHMDB
YttriumChEBI
Chemical FormulaY
Average Molecular Weight88.9059
Monoisotopic Molecular Weight88.905847902
IUPAC Nameyttrium
Traditional Nameyttrium
CAS Registry Number7440-65-5
SMILES
[Y]
InChI Identifier
InChI=1S/Y
InChI KeyVWQVUPCCIRVNHF-UHFFFAOYSA-N
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
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point1526 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP0.0Not 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 FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-597609eca3b881292a21View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-597609eca3b881292a21View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-597609eca3b881292a21View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9000000000-288c3d6979fa1d89b6c3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-288c3d6979fa1d89b6c3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-9000000000-288c3d6979fa1d89b6c3View in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Milk
  • Ruminal Fluid
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
MilkDetected and Quantified<0.00112 uM4-12 years oldNot SpecifiedNormal
    • Z. Dobrzañski et ...
details
MilkDetected and Quantified0.0169 +/- 0.00112 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.0351 +/- 0.000450 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.0304 +/- 0.00337 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.0273 +/- 0.000450 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.00236 +/- 0.000337 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.00574 +/- 0.000337 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.005 +/- 0.001 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified0.006 +/- 0.001 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified0.005 +/- 0.0004 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified0.005 +/- 0.001 uMNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified0.0053 +/- 0.001 uMNot SpecifiedNot Specified
Normal
    • Fozia Saleem, Sou...
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0013667
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB030035
KNApSAcK IDNot Available
Chemspider ID22429
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkYttrium
METLIN IDNot Available
PubChem Compound23993
PDB IDNot Available
ChEBI ID33331
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Z. Dobrzañski, R. Ko3acz, H. Górecka, K. Chojnacka, A. Bartkowiak (2005). Z. Dobrzañski et al. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Polish Journal of Environmental Studies Vol. 14, No 5 (2005), 685-689. Polish Journal of Environmental Studies .
  2. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
  3. Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia (2005). Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123. Analytica Chimica Acta.