Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:44 UTC |
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Update date | 2019-11-26 03:05:09 UTC |
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Primary ID | FDB011624 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Glycerylphosphoinositol |
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Description | Glycerophosphoinositol, also known as 3-phosphoglyceroinositol or gropins, belongs to the class of organic compounds known as glycerophosphoinositols. These are lipids containing a glycerol moiety carrying a phosphoinositol at the 3-position. Based on a literature review a significant number of articles have been published on Glycerophosphoinositol. |
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CAS Number | 129830-95-1 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C9H19O11P |
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IUPAC name | [(2R)-2,3-dihydroxypropoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid |
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InChI Identifier | InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1 |
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InChI Key | BMVUIWJCUQSHLZ-UJGXJMNGSA-N |
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Isomeric SMILES | OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |
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Average Molecular Weight | 334.2143 |
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Monoisotopic Molecular Weight | 334.066497962 |
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Classification |
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Description | Belongs to the class of organic compounds known as glycerophosphoinositols. These are lipids containing a glycerol moiety carrying a phosphoinositol at the 3-position. |
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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 | Glycerophosphoinositols |
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Direct Parent | Glycerophosphoinositols |
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Alternative Parents | |
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Substituents | - Glycerophosphoinositol
- Inositol phosphate
- Cyclohexanol
- Dialkyl phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Cyclitol or derivatives
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Primary alcohol
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Organoleptic effect: |
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Disposition | Biological location: Route of exposure: Source: |
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Process | Naturally occurring process: |
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Role | Biological role: Industrial application: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Glycerylphosphoinositol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0300-5496000000-84efb8ec050f4c9f17b7 | Spectrum | Predicted GC-MS | Glycerylphosphoinositol, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0g30-1304039000-ea70d488eb876065d7d3 | Spectrum | Predicted GC-MS | Glycerylphosphoinositol, TBDMS_4_66, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Glycerylphosphoinositol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Glycerylphosphoinositol, "Glycerophosphoinositol,4TBDMS,#66" TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00tr-5729000000-77cf10de08bfe9a0d966 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056r-9332000000-6c7d50102de3918a31da | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06tb-9600000000-165e7d287c38c605bdf0 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-1139000000-6f6dad972f38a9d35095 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056r-9583000000-d901449da6faa456e564 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9100000000-6eb59ff75ccaecb4ec40 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0009000000-b246d9d30677ca93576a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-057i-6759000000-fc8aae06d678cd5fd195 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9200000000-e143d85aa39afab46064 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a6r-4902000000-65aa1c251a257777fec9 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01r2-9550000000-6361d6accd269b0452bc | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-006x-5910000000-b78145321ee1bd5d8d8c | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 28184592 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C01225 |
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Pubchem Compound ID | 167572 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB11649 |
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CRC / DFC (Dictionary of Food Compounds) ID | GSX81-R:GSX81-R |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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