Milk Composition Database: Showing metabocard for Lead (BMDB0004628)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:09:53 UTC

Update Date

2020-06-04 20:40:31 UTC

MCDB ID

BMDB0004628

Secondary Accession Numbers

BMDB04628

Metabolite Identification

Common Name

Lead

Description

Lead, also known as lead, ion (PB2+) or lead (ii) ion, belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom. Lead exists as a solid, possibly soluble (in water), and possibly neutral molecule. Lead is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
LEAD (II) ion	ChEBI
Lead, ion (PB2+)	ChEBI
Pb	ChEBI
PB(2+)	ChEBI
PB2+	ChEBI
Glover	HMDB
haro Mix MH-204	HMDB
Lead ion (PB2+)	HMDB
Lead(2+) ion	HMDB
Omaha	HMDB
Plumbum	HMDB, ChEBI
Methyl 2-bromo-6-(((2-(5,6-dihydro-1,4,2-dioxazin-3-yl)-2-((4-(4-nitrophenyl)-1,3-thiazol-2-yl)amino)ethyl)sulfanyl)-methyl)-5-hydroxy-3-methoxybenzoate	MeSH, HMDB
82PB	ChEBI
Blei	ChEBI
Plomb	ChEBI
Plomo	ChEBI

Chemical Formula

Average Molecular Weight

207.2

Monoisotopic Molecular Weight

207.97663585

IUPAC Name

λ²-lead(2+) ion

Traditional Name

λ²-lead(2+) ion

CAS Registry Number

7439-92-1

SMILES

[Pb++]

InChI Identifier

InChI=1S/Pb/q+2

InChI Key

RVPVRDXYQKGNMQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous post-transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous post-transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous post-transition metal

Molecular Framework

Not Available

External Descriptors

monoatomic dication (CHEBI:49807 )
divalent metal cation (CHEBI:49807 )
lead cation (CHEBI:49807 )
a cation (PB+2 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	327.5 °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	0.03	ChemAxon
Physiological Charge	2	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	splash10-014i-0090000000-123b547ace2c14730ca1	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-0090000000-123b547ace2c14730ca1	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-0090000000-123b547ace2c14730ca1	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0090000000-5199439513f6f28b5c21	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0090000000-5199439513f6f28b5c21	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0090000000-5199439513f6f28b5c21	2016-08-03	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	0.00869 uM	PMID: 3563481	details
Detected and Quantified	0.00473 - 0.0215 uM	PMID: 8201052	details
Detected and Quantified	0.0082 +/- 0.00671 uM	PMID: 10231985	details
Detected and Quantified	0.03 - 0.7 uM	G.K. Murthy, U. R...	details
Detected and Quantified	0.020 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.02 +/- 0.01 uM	PMID: 30994344	details
Detected and Quantified	0.020 +/- 0.002 uM	PMID: 30994344	details
Detected and Quantified	0.02 +/- 0.01 uM	PMID: 30994344	details
Detected and Quantified	0.193 - 0.772 uM	Semaghiul Birghil...	details
Detected and Quantified	0.0338 - 0.444 uM	PMID: 25588978	details
Detected and Quantified	0.003 - 0.0903 uM	Sola-Larrañaga C....	details
Detected and Quantified	0.02 +/- 0.001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.00623 +/- 0.00034 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.0203 +/- 0.00048 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.011 +/- 0.001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.01 +/- 0.001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.011 +/- 0.002 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0004628

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB003777

KNApSAcK ID

Not Available

Chemspider ID

4509317

KEGG Compound ID

C06696

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Lead

METLIN ID

Not Available

PubChem Compound

5352425

PDB ID

Not Available

ChEBI ID

25016

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Ostapczuk P, Valenta P, Rutzel H, Nurnberg HW: Application of differential pulse anodic stripping voltammetry to the determination of heavy metals in environmental samples. Sci Total Environ. 1987 Feb;60:1-16. [PubMed:3563481 ]
Jeng SL, Lee SJ, Lin SY: Determination of cadmium and lead in raw milk by graphite furnace atomic absorption spectrophotometer. J Dairy Sci. 1994 Apr;77(4):945-9. doi: 10.3168/jds.S0022-0302(94)77030-2. [PubMed:8201052 ]
Tripathi RM, Raghunath R, Sastry VN, Krishnamoorthy TM: Daily intake of heavy metals by infants through milk and milk products. Sci Total Environ. 1999 Mar 9;227(2-3):229-35. [PubMed:10231985 ]
Najarnezhad V, Jalilzadeh-Amin G, Anassori E, Zeinali V: Lead and cadmium in raw buffalo, cow and ewe milk from west Azerbaijan, Iran. Food Addit Contam Part B Surveill. 2015;8(2):123-7. doi: 10.1080/19393210.2015.1007396. Epub 2015 Mar 25. [PubMed:25588978 ]
Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu (2008). Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu. Determination of major and minor elements in milk through ICP-AES. Environmental Engineering and Management Journal. November/December 2008, Vol.7, No.6, 805-808. Environmental Engineering and Management Journal.
G.K.MurthyU.RheaJ.T.Peeler (1967). G.K. Murthy, U. Rhea, J.T.Peeler. Rubidium and Lead Content of Market Milk. Journal of Dairy Science. 50(5), May 1967, p. 651-654. Journal of Dairy Science.
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.
Cristina Sola-Larrañaga, Iñigo Navarro-Blasco (2009). Sola-Larrañaga C., Navarro-Blasco I. 2009. Chemometric analysis of minerals and trace elements in raw cow milk from the community of Navarra, Spain. Volume 112, Issue 1, Pages 189-196. Food Chemistry.

Showing metabocard for Lead (BMDB0004628)

Structure for BMDB0004628 (Lead)