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Showing NP-Card for Yttrium (NP0049977)

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Record Information
Version2.0
Created at2022-03-17 21:21:12 UTC
Updated at2022-03-17 21:21:12 UTC
NP-MRD IDNP0049977
Secondary Accession NumbersNone
Natural Product 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. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers. Outside of the human body, Yttrium is found, on average, in the highest concentration within a few different foods, such as milk (cow), spinachs, and red beetroots and in a lower concentration in yellow zucchinis, japanese pumpkins, and carrots. Yttrium has also been detected, but not quantified in, cucumbers. This could make yttrium a potential biomarker for the consumption of these foods. An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0049977 (Yttrium)


  Mrv0541 02271201192D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0049977 (Yttrium)

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3D SDF for NP0049977 (Yttrium)

  Mrv0541 02271201192D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0049977

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Y]

> <INCHI_IDENTIFIER>
InChI=1S/Y

> <INCHI_KEY>
VWQVUPCCIRVNHF-UHFFFAOYSA-N

> <FORMULA>
Y

> <MOLECULAR_WEIGHT>
88.9059

> <EXACT_MASS>
88.905847902

> <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>
yttrium

> <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>
yttrium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0049977 (Yttrium)
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PDB for NP0049977 (Yttrium)
HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  Y   UNK     0       0.000   0.000   0.000  0.00  0.00           Y+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0049977 (Yttrium)
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SMILES for NP0049977 (Yttrium)
[Y]
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INCHI for NP0049977 (Yttrium)
InChI=1S/Y
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View in JSmol
Synonyms
ValueSource
39YChEBI
YChEBI
YtrioChEBI
Yttrium y 90 epratuzumabHMDB
YttriumChEBI
Chemical FormulaY
Average Mass88.9059 Da
Monoisotopic Mass88.90585 Da
IUPAC Nameyttrium
Traditional Nameyttrium
CAS Registry Number7440-65-5
SMILES
[Y]
InChI Identifier
InChI=1S/Y
InChI KeyVWQVUPCCIRVNHF-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
CervidaeFooDB
Cervus canadensisFooDB
ColumbaFooDB
ColumbidaeFooDB
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
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 IDHMDB0013667  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB 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  
Good Scents IDNot Available
References
General ReferencesNot Available