| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 06:53:06 UTC |
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| Update Date | 2016-11-09 01:16:09 UTC |
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| Accession Number | CHEM020178 |
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| Identification |
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| Common Name | Glycerol phosphate calcium salt |
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| Class | Small Molecule |
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| Description | An organic calcium salt having glycerol 2-phosphate(2-) as the counterion. |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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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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| 1,2,3-Propanetriol, mono(dihydrogen phosphate) calcium salt | ChEBI | | 1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt | ChEBI | | beta-Glycerophosphoric acid calcium salt | ChEBI | | Calcium beta-glycerophosphate | ChEBI | | 1,2,3-Propanetriol, mono(dihydrogen phosphoric acid) calcium salt | Generator | | 1,2,3-Propanetriol, mono(dihydrogen phosphoric acid), calcium salt | Generator | | b-Glycerophosphate calcium salt | Generator | | b-Glycerophosphoric acid calcium salt | Generator | | beta-Glycerophosphate calcium salt | Generator | | Β-glycerophosphate calcium salt | Generator | | Β-glycerophosphoric acid calcium salt | Generator | | Calcium b-glycerophosphate | Generator | | Calcium b-glycerophosphoric acid | Generator | | Calcium beta-glycerophosphoric acid | Generator | | Calcium β-glycerophosphate | Generator | | Calcium β-glycerophosphoric acid | Generator | | Calcium glycerophosphoric acid | Generator | | Calcium;1,3-dihydroxypropan-2-yl phosphoric acid | Generator |
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| Chemical Formula | C3H7CaO6P |
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| Average Molecular Mass | 210.135 g/mol |
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| Monoisotopic Mass | 209.961 g/mol |
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| CAS Registry Number | 58409-70-4 |
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| IUPAC Name | calcium 2-(phosphonatooxy)propane-1,3-diol |
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| Traditional Name | calcium glycerol 2-phosphate |
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| SMILES | [Ca++].OCC(CO)OP([O-])([O-])=O |
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| InChI Identifier | InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2 |
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| InChI Key | UHHRFSOMMCWGSO-UHFFFAOYSA-L |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Glycerophospholipids |
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| Sub Class | Glycerophosphates |
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| Direct Parent | Glycerophosphates |
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| Alternative Parents | |
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| Substituents | - Sn-glycerol-2-phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Organic calcium salt
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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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 | splash10-03di-0090000000-c92df1bca3039b36ebc4 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0090000000-c92df1bca3039b36ebc4 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-0090000000-c92df1bca3039b36ebc4 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0090000000-4fb80cf8db947dd3075e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0090000000-4fb80cf8db947dd3075e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-0090000000-4fb80cf8db947dd3075e | 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 | DBSALT002553 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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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 | Calcium glycerylphosphate |
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| Chemspider ID | Not Available |
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| ChEBI ID | 31336 |
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| PubChem Compound ID | 62820 |
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| Kegg Compound ID | C12935 |
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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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