| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:49:27 UTC |
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| Update Date | 2016-11-09 01:13:50 UTC |
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| Accession Number | CHEM008637 |
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| Identification |
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| Common Name | Diazotized substituted heteromonocycle coupled with naphthalenesulfonic acid derivative, nickel complex, alkaline salt (generic) |
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| Class | Small Molecule |
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| Description | Nickel, also known as ni2+ or nickel (ii) 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. Nickel exists as a solid, possibly soluble (in water), and possibly neutral molecule. Nickel exists in all living organisms, ranging from bacteria to humans. Nickel is a potentially toxic compound. |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Ni2+ | ChEBI | | Ni(2+) | ChEBI | | NICKEL (II) ion | ChEBI | | Nickel, ion (ni2+) | ChEBI | | Nickelous ion | ChEBI | | Ni(II) | Kegg | | Carbonyl nickel powder | HMDB | | Malleable nickel | HMDB | | NI | HMDB | | Nichel | HMDB | | Nickel 200 | HMDB | | Nickel 201 | HMDB | | Nickel 204 | HMDB | | Nickel 205 | HMDB | | Nickel 211 | HMDB | | Nickel 212 | HMDB | | Nickel 213 | HMDB | | Nickel 222 | HMDB | | Nickel 223 | HMDB | | Nickel 229 | HMDB | | Nickel 270 | HMDB | | Nickel particles | HMDB | | Nickel sponge | HMDB | | Raney alloy | HMDB | | Raney nickel | HMDB |
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| Chemical Formula | Ni |
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| Average Molecular Mass | 58.693 g/mol |
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| Monoisotopic Mass | 57.935 g/mol |
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| CAS Registry Number | 279506 |
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| IUPAC Name | nickel(2+) ion |
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| Traditional Name | nickel(2+) ion |
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| SMILES | [Ni] |
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| InChI Identifier | InChI=1S/Ni |
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| InChI Key | PXHVJJICTQNCMI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Inorganic compounds |
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| Super Class | Homogeneous metal compounds |
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| Class | Homogeneous transition metal compounds |
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| Sub Class | Not Available |
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| Direct Parent | Homogeneous transition metal compounds |
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| Alternative Parents | |
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| Substituents | - Homogeneous transition metal
- Inorganic nickel compound
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| Molecular Framework | Not Available |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-9000000000-08256b3c9e2cc1750f60 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-08256b3c9e2cc1750f60 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-08256b3c9e2cc1750f60 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-9000000000-4648ffc6f53552c41503 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-4648ffc6f53552c41503 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-4648ffc6f53552c41503 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0002457 |
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| FooDB ID | FDB013444 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Nickel |
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| Chemspider ID | 909 |
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| ChEBI ID | 49786 |
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| PubChem Compound ID | 934 |
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| Kegg Compound ID | C19609 |
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| YMDB ID | Not Available |
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| ECMDB ID | ECMDB21391 |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | | 1. Lightner, David A.; Crist, B. Vincent; Kalyanam, Nagabushanam; May, Leslie M.; Jackman, Dennis E. The octant rule. 15. Antioctant effects: synthesis and circular dichroism of 2-exo- and 2-endo-alkylbicyclo[2.2.1]heptan-7-ones and bicyclo[3.2.1]octan-8-one. J. Org. Chem. 1985,50, 3867-3878. DOI: 10.1021/jo00220a037 | | 2. 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 | | 3. Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en | | 4. Lightner, David A.; Crist, B. Vincent; Kalyanam, Nagabushanam; May, Leslie M.; Jackman, Dennis E. The octant rule. 15. Antioctant effects: synthesis and circular dichroism of 2-exo- and 2-endo-alkylbicyclo[2.2.1]heptan-7-ones and bicyclo[3.2.1]octan-8-one. J. Org. Chem. 1985,50, 3867-3878. DOI: 10.1021/jo00220a037 | | 5. Nielsen FH: How should dietary guidance be given for mineral elements with beneficial actions or suspected of being essential? J Nutr. 1996 Sep;126(9 Suppl):2377S-2385S. | | 6. Biego GH, Joyeux M, Hartemann P, Debry G: Daily intake of essential minerals and metallic micropollutants from foods in France. Sci Total Environ. 1998 Jun 30;217(1-2):27-36. | | 7. Uthus EO, Seaborn CD: Deliberations and evaluations of the approaches, endpoints and paradigms for dietary recommendations of the other trace elements. J Nutr. 1996 Sep;126(9 Suppl):2452S-2459S. | | 8. Hostynek JJ: Sensitization to nickel: etiology, epidemiology, immune reactions, prevention, and therapy. Rev Environ Health. 2006 Oct-Dec;21(4):253-80. | | 9. Setcos JC, Babaei-Mahani A, Silvio LD, Mjor IA, Wilson NH: The safety of nickel containing dental alloys. Dent Mater. 2006 Dec;22(12):1163-8. Epub 2006 Jan 6. | | 10. Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. | | 11. https://www.ncbi.nlm.nih.gov/pubmed/?term=20456924 |
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