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Record Information
Version1.0
Creation Date2016-07-13 19:54:16 UTC
Update Date2016-07-19 23:29:39 UTC
LmdbLMDB00633
Secondary Accession NumbersNone
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. Outside of the human body, yttrium is found, on average, in the highest concentration in a few different foods, such as spinachs, red beetroots, and romaine lettuces and in a lower concentration in parsnips, broccoli, and eggplants. yttrium has also been detected, but not quantified in, cucumbers. This could make yttrium a potential biomarker for the consumption of these foods.
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
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
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
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-597609eca3b881292a21Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-597609eca3b881292a21Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-597609eca3b881292a21Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9000000000-288c3d6979fa1d89b6c3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-288c3d6979fa1d89b6c3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-9000000000-288c3d6979fa1d89b6c3Spectrum
Biological Properties
Cellular LocationsNot Available
Biofluid Locations and Tissue Locations
  • Ruminal Fluid
Concentrations
BiofluidStatusValueConditionSpeciesReferenceDetails
Ruminal FluidDetected and Quantified0.0053 +/- 0.001 uMNot AvailableBovine
    • Saleem F, Bouatra...
details
DrugBank IDNot Available
HMDB IDHMDB0013667
FooDB IDFDB030035
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkYttrium
Chemspider ID22429
ChEBI ID33331
PubChem Compound ID23993
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available