Milk Composition Database: Showing metabocard for Yttrium (BMDB0013667)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-10-03 18:40:29 UTC

Update Date

2020-06-04 23:02:33 UTC

MCDB ID

BMDB0013667

Secondary Accession Numbers

BMDB13667

Metabolite Identification

Common Name

Yttrium

Description

Yttrium, 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 exists as a solid, possibly soluble (in water), and possibly neutral molecule.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
39Y	ChEBI
Y	ChEBI
Ytrio	ChEBI
Yttrium y 90 epratuzumab	HMDB
Yttrium	ChEBI

Chemical Formula

Average Molecular Weight

88.9059

Monoisotopic Molecular Weight

88.905847902

IUPAC Name

yttrium

Traditional Name

yttrium

CAS Registry Number

7440-65-5

SMILES

[Y]

InChI Identifier

InChI=1S/Y

InChI Key

VWQVUPCCIRVNHF-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.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

d-block element atom (CHEBI:33331 )
rare earth metal atom (CHEBI:33331 )
scandium group element atom (CHEBI:33331 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	1526 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	0.0	Not Available

Predicted Properties

Property	Value	Source
logP	0	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-9000000000-597609eca3b881292a21	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9000000000-597609eca3b881292a21	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9000000000-597609eca3b881292a21	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-9000000000-288c3d6979fa1d89b6c3	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-9000000000-288c3d6979fa1d89b6c3	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-9000000000-288c3d6979fa1d89b6c3	2016-08-04	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	<0.00112 uM	Z. Dobrzañski et ...	details
Detected and Quantified	0.005 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.006 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.005 +/- 0.0004 uM	PMID: 30994344	details
Detected and Quantified	0.005 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.02 +/- 0.00112 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.04 +/- 0.001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.0304 +/- 0.0034 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.03 +/- 0.001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.0024 +/- 0.00034 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.00574 +/- 0.00034 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0013667

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB030035

KNApSAcK ID

Not Available

Chemspider ID

22429

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Yttrium

METLIN ID

Not Available

PubChem Compound

23993

PDB ID

Not Available

ChEBI ID

33331

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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 .
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.
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.

Showing metabocard for Yttrium (BMDB0013667)

Structure for BMDB0013667 (Yttrium)