| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 00:39:50 UTC |
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| Update date | 2015-07-21 06:58:00 UTC |
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| Primary ID | FDB024095 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 1D-Myo-inositol 3-phosphate |
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| Description | 1D-myo-Inositol 3-phosphate is involved in the inositol phosphate metabolism and the phosphatidylinositol signaling systems.
With regards to the inositol phosphate metabolism system, 1D-myo-Inositol 3-phosphate is created from D-myo-Inositol 3,4-bisphosphate by inositol polyphosphate-4-phosphatase (EC:3.1.3.66) and is converted to myo-Inositol by myo-inositol-1(or 4)-monophosphatase (EC:3.1.3.25).
Within the phosphatidylinositol signaling system, 1D-myo-Inositol 3-phosphate is created from D-myo-Inositol 3,4-bisphosphate by inositol polyphosphate-4-phosphatase (EC:3.1.3.66) and is converted to myo-Inositol by myo-inositol-1(or 4)-monophosphatase (EC:3.1.3.25). [HMDB] |
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| CAS Number | 2831-74-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1D-Myo-inositol 3-phosphoric acid | Generator | | 1D-Myo-inositol 3-monophosphate | HMDB | | 1l-Myo-inositol 1-phosphate | HMDB | | D-Myo-inositol 3-monophosphate | HMDB | | D-Myo-inositol 3-phosphate | HMDB | | Inositol 3-monophosphate | HMDB | | Inositol 3-phosphate | HMDB | | L-Myo-inositol 1-phosphate | HMDB | | Myo-inositol 3-monophosphate | HMDB | | Myo-inositol 3-phosphate | HMDB | | D-Myo-inositol-3-phosphate | HMDB | | Inositol 3-phosphate, (-)-isomer | HMDB | | Myoinositol 3-phosphate | HMDB | | 1D-myo-Inositol 3-monophosphate | hmdb | | D-myo-Inositol 3-monophosphate | hmdb | | D-myo-Inositol 3-phosphate | hmdb | | Inositol 3-monoate | HMDB | | myo-Inositol 3-ate | HMDB | | myo-Inositol 3-monoate | HMDB | | myo-Inositol 3-monophosphate | hmdb | | myo-Inositol 3-phosphate | hmdb |
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| Predicted Properties | |
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| Chemical Formula | C6H13O9P |
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| IUPAC name | {[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid |
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| InChI Identifier | InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m0/s1 |
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| InChI Key | INAPMGSXUVUWAF-LXOASSSBSA-N |
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| Isomeric SMILES | OC1[C@H](O)[C@H](O)C(OP(O)(O)=O)[C@@H](O)[C@@H]1O |
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| Average Molecular Weight | 260.1358 |
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| Monoisotopic Molecular Weight | 260.029718526 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Alcohols and polyols |
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| Direct Parent | Inositol phosphates |
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| Alternative Parents | |
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| Substituents | - Inositol phosphate
- Monoalkyl phosphate
- Cyclohexanol
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Secondary alcohol
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Source: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Solid | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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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 | 1D-Myo-inositol 3-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0005-9650000000-8feb65965bdf1456b458 | Spectrum | | Predicted GC-MS | 1D-Myo-inositol 3-phosphate, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-2293126000-549eada55b744fac8622 | 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 | splash10-03di-3290000000-43552f3f7fc8310bd494 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dl-2190000000-c67e077835114485af8b | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9500000000-f36378811541baf7cfef | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-4090000000-01afb15b24735a3a5165 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9110000000-02799b91b498522af46d | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-b3dde662ddcb72b87b4e | 2017-09-01 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 389182 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C04006 |
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| Pubchem Compound ID | 440194 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 18169 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB06814 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | 42948 |
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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 | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | | Name | Gene Name | UniProt ID |
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| Type II inositol 3,4-bisphosphate 4-phosphatase | INPP4B | O15327 | | Type I inositol 3,4-bisphosphate 4-phosphatase | INPP4A | Q96PE3 |
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| Pathways | |
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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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