Showing Compound Lead (FDB003777)

Record Information

Version

1.0

Creation date

2010-04-08 22:05:57 UTC

Update date

2019-11-26 02:59:34 UTC

Primary ID

FDB003777

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Lead

Description

Lead is a chemical element in the carbon group with symbol Pb and atomic number 82. Like the element mercury, another heavy metal, lead is a neurotoxin that accumulates both in soft tissues and the bones. Lead can be ingested through fruits and vegetables contaminated by high levels of lead in the soils they were grown in. Soil is contaminated through particulate accumulation from lead in pipes, lead paint and residual emissions from leaded gasoline that was used before the Environment Protection Agency issue the regulation around 1980. [Wikipedia]. Lead is found in many foods, some of which are blackcurrant, asparagus, endive, and flaxseed.

CAS Number

7439-92-1

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
4-D-Hydroxysphinganine	ChEBI
4-R-Hydroxyoctadecasphinganine	ChEBI
(+)-D-Ribo-phytosphingosine	HMDB
4-D-Hydroxy-sphinganine	HMDB
4D-Hydroxysphinganine	HMDB
C18-Phytosphingosine	HMDB
D-Ribo-1,3,4-trihydroxy-2-aminooctadecane	HMDB
D-Ribo-2-amino-1,3,4-octadecanetriol	HMDB
[2S-(2R,3R,4S*)]-2-amino-1,3,4-octadecanetriol	HMDB
8-(Z-e)-C18-Phytosphingenine	HMDB
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
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
C.I. Pigment metal 4	biospider
Haro Mix CE-701	biospider
Haro Mix CK-711	biospider
Haro Mix MH-204	biospider
Lead (II) ion	biospider
Lead ion	biospider
Lead ion (Pb2+)	biospider
Lead, ion (Pb2+)	biospider
Lead(2+)	biospider
Lead(II) cation	biospider
Pb(2+)	ChEBI
Pb2+	ChEBI

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	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

IUPAC name

λ²-lead(2+) ion

InChI Identifier

InChI=1S/Pb/q+2

InChI Key

RVPVRDXYQKGNMQ-UHFFFAOYSA-N

Isomeric SMILES

[Pb++]

Average Molecular Weight

207.2

Monoisotopic Molecular Weight

207.97663585

Classification

Description

Belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

1,3-aminoalcohols

Alternative Parents

Substituents

1,3-aminoalcohol
Secondary alcohol
1,2-aminoalcohol
Polyol
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary alcohol
Organooxygen compound
Primary aliphatic amine
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

sphingoid (CHEBI:46961 )
amino alcohol (CHEBI:46961 )
triol (CHEBI:46961 )
4-Hydroxysphinganines (Phytosphingosines) (C12144 )
4-Hydroxysphinganines (Phytosphingosines) (LMSP01030001 )

Ontology

Food

Environmental:

Tobacco smoke

Biological:

Animal

Ingestion

Biological location:

Biofluid and excreta:

Role

Biological role:

Osmolyte

Molecular messenger:

Signaling molecule

Indirect biological role:

Neurotoxin

Environmental role:

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Solid
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	327.5 oC
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0090000000-123b547ace2c14730ca1	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-0090000000-123b547ace2c14730ca1	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-0090000000-123b547ace2c14730ca1	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0090000000-5199439513f6f28b5c21	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0090000000-5199439513f6f28b5c21	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0090000000-5199439513f6f28b5c21	Spectrum