Livestock Metabolome Database: Showing metabocard for Zinc (LMDB00652)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:54:41 UTC

Update Date

2020-03-13 18:12:57 UTC

Lmdb

LMDB00652

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Zinc

Description

Zinc (II) ion, also known as ZN2+ or zinc ion, 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. Zinc (II) ion is possibly neutral. It is known by the symbol Zn. Zinc (II) ion exists in all living species, ranging from bacteria to humans. In humans, zinc (II) ion is involved in dipyridamole (antiplatelet) action pathway. Zinc binds to carbonic anhydrase in erythrocytes, and to albumin, α2-macroglobulin, and amino acids in the the plasma. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase have been linked to amyotrophic lateral sclerosis (ALS). Outside of the human body, Zinc (II) ion has been detected, but not quantified in, several different foods, such as common walnuts, lovages, wasabis, common grapes, and groundcherries. This could make zinc (II) ion a potential biomarker for the consumption of these foods. Zinc (II) ion is a potentially toxic compound. A metallic element of atomic number 30 and atomic weight 65.38.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Dietary zinc	ChEBI
Zinc cation	ChEBI
ZINC ion	ChEBI
Zinc, ion (ZN2+)	ChEBI
ZN(II)	ChEBI
ZN(2+)	ChEBI
ZN2+	ChEBI
Mannosidase b, alpha	MeSH
alpha Mannosidase b	MeSH
alpha-D-Mannoside mannohydrolase	MeSH
Neutral alpha-mannosidase	MeSH
alpha D Mannosidase	MeSH
alpha-D-Mannosidase	MeSH
Lysosomal alpha-mannosidase	MeSH
Mannohydrolase, alpha-D-mannoside	MeSH
alpha Mannosidase	MeSH
alpha-Mannosidase	MeSH
LAMAN	MeSH
Lysosomal alpha mannosidase	MeSH
Neutral alpha mannosidase	MeSH
alpha D Mannoside mannohydrolase	MeSH
alpha-Mannosidase, lysosomal	MeSH
alpha-Mannosidase, neutral	MeSH
Topostin b	MeSH

Chemical Formula

Average Molecular Weight

65.409

Monoisotopic Molecular Weight

63.929146578

IUPAC Name

zinc(2+) ion

Traditional Name

zinc(2+) ion

CAS Registry Number

7440-66-6

SMILES

[Zn]

InChI Identifier

InChI=1S/Zn

InChI Key

HCHKCACWOHOZIP-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

monoatomic dication (CHEBI:29105 )
divalent metal cation (CHEBI:29105 )
zinc cation (CHEBI:29105 )
a cation (ZN+2 )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	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	0.16	ChemAxon
pKa (Strongest Acidic)	3.09	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	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-0cd08967c771fb645329	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-0cd08967c771fb645329	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-9000000000-0cd08967c771fb645329	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-29976d3ebd17b2d11a4b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-29976d3ebd17b2d11a4b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-9000000000-29976d3ebd17b2d11a4b	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Milk
Ruminal Fluid
Serum

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Milk	Detected and Quantified	5.3 mg/kg	Not Available	Bovine	Park, Y. W; Juáre...	details
Milk	Detected and Quantified	5.7 mg/kg	Not Available	Ovine	Park, Y. W; Juáre...	details
Milk	Detected and Quantified	5.6 mg/kg	Not Available	Caprine	Park, Y. W; Juáre...	details
Ruminal Fluid	Detected and Quantified	5305.0803 uM	Not Available	Ovine	M.L.K. Bonsi, P.O...	details
Ruminal Fluid	Detected and Quantified	4265.468-6008.347 uM	Not Available	Ovine	M.L.K. Bonsi, P.O...	details
Ruminal Fluid	Detected and Quantified	5947.194-7628.920 uM	Not Available	Ovine	M.L.K. Bonsi, P.O...	details
Ruminal Fluid	Detected and Quantified	3.39 uM	Not Available	Bovine	Saleem F, Bouatra...	details
Ruminal Fluid	Detected and Quantified	2.39 +/- 0.51 uM	Not Available	Bovine	Saleem F, Bouatra...	details
Serum	Detected and Quantified	11.91 +/- 3.51 uM	Not Available	Ovine	Candidate serum m...	details
Serum	Detected but not Quantified	Not Applicable	Not Available	Bovine	19275474	details