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Alkyl amino substituted triazine amino substituted benzenesulfonic acid reaction product with naphthalenesulfonato azo substituted phenyl azo substituted benzenesulfonic acid copper compound (generic) (CHEM008479)
Identification
Taxonomy
Biological Properties
Physical Properties
Toxicity Profile
Spectra
Concentrations
Links
References
XML
Record Information
Version
1.0
Creation Date
2016-05-19 02:46:41 UTC
Update Date
2016-11-09 01:13:48 UTC
Accession Number
CHEM008479
Identification
Common Name
Alkyl amino substituted triazine amino substituted benzenesulfonic acid reaction product with naphthalenesulfonato azo substituted phenyl azo substituted benzenesulfonic acid copper compound (generic)
Class
Small Molecule
Description
An ion of copper carrying a double positive charge.
Contaminant Sources
HPV EPA Chemicals
STOFF IDENT Compounds
Contaminant Type
Not Available
Chemical Structure
MOL
SDF
PDB
SMILES
InChI
×
Structure for CHEM008479: Alkyl amino substituted triazine amino substituted benzenesulfonic acid reaction product with naphthalenesulfonato azo substituted phenyl azo substituted benzenesulfonic acid copper compound (generic)
Synonyms
Value
Source
COPPER (II) ion
ChEBI
Copper(II) cation
ChEBI
Copper, ion (cu2+)
ChEBI
Cu(II)
ChEBI
Cu2+
ChEBI
Cu(2+)
ChEBI
Cupric ion
ChEBI
Cu
HMDB
Chemical Formula
Cu
Average Molecular Mass
63.546 g/mol
Monoisotopic Mass
62.930 g/mol
CAS Registry Number
240245
IUPAC Name
copper(2+) ion
Traditional Name
copper(2+) ion
SMILES
[Cu]
InChI Identifier
InChI=1S/Cu
InChI Key
RYGMFSIKBFXOCR-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:29036
)
divalent metal cation (
CHEBI:29036
)
copper cation (
CHEBI:29036
)
a cation (
CU+2
)
Biological Properties
Status
Detected and Not Quantified
Origin
Not Available
Cellular Locations
Not Available
Biofluid Locations
Not Available
Tissue Locations
Not Available
Pathways
Not Available
Applications
Not Available
Biological Roles
Not Available
Chemical Roles
Not Available
Physical Properties
State
Not Available
Appearance
Not Available
Experimental Properties
Property
Value
Melting Point
Not Available
Boiling Point
Not Available
Solubility
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 Ų
ChemAxon
Rotatable Bond Count
0
ChemAxon
Refractivity
0 m³·mol⁻¹
ChemAxon
Polarizability
1.78 ų
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
Spectra
Spectrum Type
Description
Splash Key
View
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 10V, Positive
splash10-03di-9000000000-59c652eccc13cc365f65
Spectrum
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 20V, Positive
splash10-03di-9000000000-59c652eccc13cc365f65
Spectrum
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 40V, Positive
splash10-03di-9000000000-59c652eccc13cc365f65
Spectrum
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 10V, Negative
splash10-03di-9000000000-9acd78ab9faeb89677a7
Spectrum
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 20V, Negative
splash10-03di-9000000000-9acd78ab9faeb89677a7
Spectrum
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 40V, Negative
splash10-03di-9000000000-9acd78ab9faeb89677a7
Spectrum
Toxicity Profile
Route of Exposure
Not Available
Mechanism of Toxicity
Not Available
Metabolism
Not Available
Toxicity Values
Not Available
Lethal Dose
Not Available
Carcinogenicity (
IARC Classification
)
Not Available
Uses/Sources
Not Available
Minimum Risk Level
Not Available
Health Effects
Not Available
Symptoms
Not Available
Treatment
Not Available
Concentrations
Not Available
External Links
DrugBank ID
Not Available
HMDB ID
HMDB0000657
FooDB ID
FDB030749
Phenol Explorer ID
Not Available
KNApSAcK ID
Not Available
BiGG ID
Not Available
BioCyc ID
CU%2b2
METLIN ID
Not Available
PDB ID
Not Available
Wikipedia Link
Copper
Chemspider ID
25221
ChEBI ID
29036
PubChem Compound ID
27099
Kegg Compound ID
C00070
YMDB ID
YMDB00207
ECMDB ID
ECMDB00657
References
Synthesis Reference
Not Available
MSDS
Not Available
General References
1
.
https://www.ncbi.nlm.nih.gov/pubmed/?term=23900424
2
.
https://www.ncbi.nlm.nih.gov/pubmed/?term=24168430
3
.
Campillo N, Vinas P, Lopez-Garcia I, Hernandez-Cordoba M: Direct determination of copper and zinc in cow milk, human milk and infant formula samples using electrothermal atomization atomic absorption spectrometry. Talanta. 1998 Aug;46(4):615-22.
4
.
Gaucheron F: Milk and dairy products: a unique micronutrient combination. J Am Coll Nutr. 2011 Oct;30(5 Suppl 1):400S-9S.
5
.
A. PECHOVÁ et al. Contents of Zn, Cu, Mn and Se in Milk in Relation to their Concentrations in Blood, Milk Yield and Stage of Lactation in Dairy Cattle. Acta Vet. Brno 2008, 77: 523-531
6
.
NRC. 1989. Recommended Dietary Allowances. 10th ed. Natl. Acad. Press, Washington, DC.
7
.
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
8
.
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
9
.
Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013
10
.
A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation)
11
.
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
12
.
Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. 2005. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Pol. J. Environ. Stud. 14(5):685–689
13
.
Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en
14
.
Koury JC, de Olilveria AV Jr, Portella ES, de Olilveria CF, Lopes GC, Donangelo CM: Zinc and copper biochemical indices of antioxidant status in elite athletes of different modalities. Int J Sport Nutr Exerc Metab. 2004 Jun;14(3):358-72.
15
.
Hoogenraad TU: Paradigm shift in treatment of Wilson's disease: zinc therapy now treatment of choice. Brain Dev. 2006 Apr;28(3):141-6. Epub 2006 Feb 7.
16
.
Kedzierska E: [Concentrations of selected bioelements and toxic metals and their influence on health status of children and youth residing in Szczecin]. Ann Acad Med Stetin. 2003;49:131-43.
17
.
Dib N, Valsesia E, Malinge MC, Mauras Y, Misrahi M, Cales P: Late onset of Wilson's disease in a family with genetic haemochromatosis. Eur J Gastroenterol Hepatol. 2006 Jan;18(1):43-7.
18
.
Kodama H, Sato E, Gu YH, Shiga K, Fujisawa C, Kozuma T: Effect of copper and diethyldithiocarbamate combination therapy on the macular mouse, an animal model of Menkes disease. J Inherit Metab Dis. 2005;28(6):971-8.
19
.
Cengiz B, Soylemez F, Ozturk E, Cavdar AO: Serum zinc, selenium, copper, and lead levels in women with second-trimester induced abortion resulting from neural tube defects: a preliminary study. Biol Trace Elem Res. 2004 Mar;97(3):225-35.
20
.
Langner C, Denk H: Wilson disease. Virchows Arch. 2004 Aug;445(2):111-8. Epub 2004 Jun 17.
21
.
Kitzberger R, Madl C, Ferenci P: Wilson disease. Metab Brain Dis. 2005 Dec;20(4):295-302.
22
.
Chen D, Cui QC, Yang H, Dou QP: Disulfiram, a clinically used anti-alcoholism drug and copper-binding agent, induces apoptotic cell death in breast cancer cultures and xenografts via inhibition of the proteasome activity. Cancer Res. 2006 Nov 1;66(21):10425-33.
23
.
Briviba K, Schnabele K, Rechkemmer G, Bub A: Supplementation of a diet low in carotenoids with tomato or carrot juice does not affect lipid peroxidation in plasma and feces of healthy men. J Nutr. 2004 May;134(5):1081-3.
24
.
Pizent A, Jurasovic J, Telisman S: Serum calcium, zinc, and copper in relation to biomarkers of lead and cadmium in men. J Trace Elem Med Biol. 2003;17(3):199-205.
25
.
Squitti R, Barbati G, Rossi L, Ventriglia M, Dal Forno G, Cesaretti S, Moffa F, Caridi I, Cassetta E, Pasqualetti P, Calabrese L, Lupoi D, Rossini PM: Excess of nonceruloplasmin serum copper in AD correlates with MMSE, CSF [beta]-amyloid, and h-tau. Neurology. 2006 Jul 11;67(1):76-82.
26
.
Odland JO, Nieboer E, Romanova N, Thomassen Y: Elements in placenta and pregnancy outcome in arctic and subarctic areas. Int J Circumpolar Health. 2004 May;63(2):169-87.
27
.
Venelinov TI, Davies IM, Beattie JH: Dialysis-Chelex method for determination of exchangeable copper in human plasma. Anal Bioanal Chem. 2004 Jul;379(5-6):777-80. Epub 2004 Feb 26.
28
.
Attri S, Sharma N, Jahagirdar S, Thapa BR, Prasad R: Erythrocyte metabolism and antioxidant status of patients with Wilson disease with hemolytic anemia. Pediatr Res. 2006 Apr;59(4 Pt 1):593-7.
29
.
Jablonska-Kaszewska I, Dabrowska E, Drobinska Jurowiecka A, Falkiewicz B: Treatment of Wilson's disease. Med Sci Monit. 2003 Aug;9 Suppl 3:5-8.
30
.
Daniel KG, Harbach RH, Guida WC, Dou QP: Copper storage diseases: Menkes, Wilsons, and cancer. Front Biosci. 2004 Sep 1;9:2652-62.
31
.
Aoki T: [Genetic disorders of copper transport--diagnosis and new treatment for the patients of Wilson's disease]. No To Hattatsu. 2005 Mar;37(2):99-109.
32
.
Meng Y, Miyoshi I, Hirabayashi M, Su M, Mototani Y, Okamura T, Terada K, Ueda M, Enomoto K, Sugiyama T, Kasai N: Restoration of copper metabolism and rescue of hepatic abnormalities in LEC rats, an animal model of Wilson disease, by expression of human ATP7B gene. Biochim Biophys Acta. 2004 Nov 5;1690(3):208-19.
33
.
Gorter RW, Butorac M, Cobian EP: Examination of the cutaneous absorption of copper after the use of copper-containing ointments. Am J Ther. 2004 Nov-Dec;11(6):453-8.