Milk Composition Database: Showing metabocard for Lithium (BMDB0005949)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:19:22 UTC

Update Date

2020-06-04 20:22:54 UTC

MCDB ID

BMDB0005949

Secondary Accession Numbers

BMDB05949

Metabolite Identification

Common Name

Lithium

Description

Lithium, also known as lithium ion, belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom. Lithium exists as a solid, possibly soluble (in water), and possibly neutral molecule. Lithium exists in all living organisms, ranging from bacteria to humans.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Li(+)	ChEBI
Lithium cation	ChEBI
LITHIUM ion	ChEBI
Lithium, ion	ChEBI
Lithium, ion (li1+)	ChEBI
Li	HMDB
Li(+) cation	HMDB
Li(+) ion	HMDB
Lithium atom	HMDB
Lithium element	HMDB

Chemical Formula

Average Molecular Weight

6.941

Monoisotopic Molecular Weight

7.016004049

IUPAC Name

lithium(1+) ion

Traditional Name

lithium(1+) ion

CAS Registry Number

7439-93-2

SMILES

[Li+]

InChI Identifier

InChI=1S/Li/q+1

InChI Key

HBBGRARXTFLTSG-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous alkali metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous alkali metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous alkali metal

Molecular Framework

Not Available

External Descriptors

alkali metal cation (CHEBI:49713 )
monovalent inorganic cation (CHEBI:49713 )
monoatomic monocation (CHEBI:49713 )
a cation (LI+ )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	190 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0	ChemAxon
Physiological Charge	1	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	splash10-0a4i-9000000000-d37172edddcf6ff27879	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-d37172edddcf6ff27879	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-d37172edddcf6ff27879	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-9000000000-00619c7d65eb4b7f8f3d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-9000000000-00619c7d65eb4b7f8f3d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9000000000-00619c7d65eb4b7f8f3d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-9000000000-29e69b4fc922829a038d	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-29e69b4fc922829a038d	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-29e69b4fc922829a038d	2021-09-24	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	3.0 +/- 0.3 uM	PMID: 30994344	details
Detected and Quantified	4 +/- 1 uM	PMID: 30994344	details
Detected and Quantified	4 +/- 1 uM	PMID: 30994344	details
Detected and Quantified	4.0 +/- 0.1 uM	PMID: 30994344	details
Detected and Quantified	1.44 - 72 uM	PMID: 12108223	details
Detected and Quantified	153 +/- 12 uM	Patricia Cava-Mon...	details
Detected and Quantified	80 +/- 12 uM	Patricia Cava-Mon...	details
Detected and Quantified	158 +/- 1.873 uM	Patricia Cava-Mon...	details
Detected and Quantified	78 +/- 10 uM	Patricia Cava-Mon...	details
Detected and Quantified	173 +/- 20 uM	Patricia Cava-Mon...	details
Detected and Quantified	72 +/- 12 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0005949

DrugBank ID

DB01356

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB004181

KNApSAcK ID

Not Available

Chemspider ID

26502

KEGG Compound ID

C15473

BioCyc ID

LI%2b

BiGG ID

Not Available

Wikipedia Link

Lithium

METLIN ID

Not Available

PubChem Compound

28486

PDB ID

ChEBI ID

49713

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Nabrzyski M, Gajewska R: Content of strontium, lithium and calcium in selected milk products and in some marine smoked fish. Nahrung. 2002 Jun;46(3):204-8. doi: 10.1002/1521-3803(20020501)46:3<204::AID-FOOD204>3.0.CO;2-8. [PubMed:12108223 ]
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 Lithium (BMDB0005949)

Structure for BMDB0005949 (Lithium)