Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 02:40:04 UTC |
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Update Date | 2016-11-09 01:19:16 UTC |
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Accession Number | CHEM031458 |
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Identification |
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Common Name | Calcium trimetaphosphate |
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Class | Small Molecule |
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Description | It is used in food processing as a sequestrant |
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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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Calcium trimetaphosphoric acid | Generator | Tricalcium [hydroxy(hydroxyphospho)phospho]({hydroxy[hydroxy(hydroxyphospho)phospho]phospho})oxophosphinate | Generator |
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Chemical Formula | Ca3H6O18P6 |
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Average Molecular Mass | 600.113 g/mol |
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Monoisotopic Mass | 599.686 g/mol |
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CAS Registry Number | 32280-49-2 |
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IUPAC Name | tricalcium {hydroxy[hydroxy({hydroxy[hydroxy(hydroxyphospho)phospho]phospho})phospho]phospho}(oxo)phosphinic acid |
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Traditional Name | tricalcium hydroxy(hydroxy(hydroxy(hydroxy(hydroxyphospho)phospho)phospho)phospho)phospho(oxo)phosphinic acid |
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SMILES | [Ca++].[Ca++].[Ca++].O[P](=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)(=O)[P](O)(=O)=O |
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InChI Identifier | InChI=1S/3Ca.H6O18P6/c;;;1-19(2,3)21(7,8,9)23(13,14,15)24(16,17,18)22(10,11,12)20(4,5)6/h;;;(H,1,2,3)(H,4,5,6)(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)/q3*+2; |
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InChI Key | NKVQBWYELZPBBL-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of inorganic compounds known as alkaline earth metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal. |
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Kingdom | Inorganic compounds |
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Super Class | Mixed metal/non-metal compounds |
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Class | Alkaline earth metal organides |
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Sub Class | Alkaline earth metal oxides |
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Direct Parent | Alkaline earth metal oxides |
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Alternative Parents | |
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Substituents | - Alkaline earth metal oxide
- Inorganic oxide
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Molecular Framework | Not Available |
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External Descriptors | Not Available |
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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 | Not Available |
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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 | HMDB0038053 |
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FooDB ID | FDB017264 |
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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 | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | Not Available |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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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 | Not Available |
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