Record Information |
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Version | 4.0 |
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Status | Expected but not Quantified |
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Creation Date | 2007-05-22 18:41:52 UTC |
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Update Date | 2020-02-26 21:26:16 UTC |
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HMDB ID | HMDB0006235 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | D-myo-Inositol 3,4-bisphosphate |
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Description | D-myo-Inositol 3,4-bisphosphate 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. D-myo-Inositol 3,4-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). In humans, D-myo-inositol 3,4-bisphosphate participates in a number of enzymatic reactions. In particular, D-myo-inositol 3,4-bisphosphate can be biosynthesized from inositol 1,3,4-trisphosphate through the action of the enzyme inositol polyphosphate 1-phosphatase. D-myo-Inositol 3,4-bisphosphate is an intermediate in inositol phosphate metabolism. D-myo-Inositol 3,4-bisphosphate is converted from D-myo-inositol-3-phosphate via inositol polyphosphate-4-phosphatase (EC 3.1.3.66). |
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Structure | |
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Synonyms | Value | Source |
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D-Myo-inositol 3,4-bisphosphate | ChEBI | Inositol 3,4-bisphosphate | ChEBI | D-Myo-inositol 3,4-bisphosphoric acid | Generator | Inositol 3,4-bisphosphoric acid | Generator | 1D-Myo-inositol 3,4-bisphosphoric acid | Generator | 1D-Myo-inositol 3,4-bis(dihydrogen phosphate) | HMDB | Inositol 1,2-bisphosphate | HMDB | Inositol 3,4-diphosphate | HMDB | Myo-inositol 1,2-bisphosphate | HMDB | 1D-myo-Inositol 3,4-bisphosphate | HMDB | 1D-myo-Inositol 3,4-diphosphate | HMDB | D-myo-Inositol 3,4-diphosphate | HMDB | Ins(3,4)P2 | HMDB |
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Chemical Formula | C6H14O12P2 |
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Average Molecular Weight | 340.1157 |
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Monoisotopic Molecular Weight | 339.996048936 |
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IUPAC Name | {[(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid |
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Traditional Name | [(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid |
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CAS Registry Number | 69256-53-7 |
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SMILES | O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O |
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InChI Identifier | InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1 |
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InChI Key | MCKAJXMRULSUKI-CNWJWELYSA-N |
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Chemical Taxonomy |
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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 | |
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Ontology |
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Disposition | Source: Biological location: |
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Process | Naturally occurring process: |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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| Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9332000000-8240ef1e1d222135238a | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive | splash10-03dj-7623359000-6fa30722f77bc0d30a53 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-2029000000-1195e7ce60913971906d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-006x-2029000000-c3e0fac36289e655819f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000w-8920000000-3aa518a31c4e7bc4857c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-4009000000-40bb88d61d505ce29206 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9012000000-a144b2a1549f5a9a9b8a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-39772b52beaff83371d8 | Spectrum |
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