| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:06:20 UTC |
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| Update Date | 2020-05-11 20:52:05 UTC |
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| BMDB ID | BMDB0003850 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 1-Phosphatidyl-1D-myo-inositol 3-phosphate |
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| Description | 1-Phosphatidyl-1D-myo-inositol 3-phosphate, also known as 1-phosphatidyl-1d-myo-inositol 3-phosphate, 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. 1-Phosphatidyl-1D-myo-inositol 3-phosphate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-Phosphatidyl-1D-myo-inositol 3-phosphate exists in all eukaryotes, ranging from yeast to humans. 1-Phosphatidyl-1D-myo-inositol 3-phosphate can be biosynthesized from 1-phosphatidyl-D-myo-inositol; which is catalyzed by the enzyme phosphatidylinositol 3-kinase catalytic subunit type 3. In cattle, 1-phosphatidyl-1D-myo-inositol 3-phosphate is involved in the metabolic pathway called the inositol metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-Phosphatidyl-1D-myo-inositol 3-phosphoric acid | Generator | | Phosphatidylinositol 3-phosphate | HMDB | | PtdINS3p | HMDB | | Phosphatidylinositol 3-monophosphate | HMDB |
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| Chemical Formula | C11H20O16P2 |
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| Average Molecular Weight | 470.2144 |
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| Monoisotopic Molecular Weight | 470.022657616 |
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| IUPAC Name | (2R)-2-({[hydroxy({[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy})phosphoryl]oxy}methyl)butanedioic acid |
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| Traditional Name | (2R)-2-[({hydroxy[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxyphosphoryl}oxy)methyl]butanedioic acid |
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| CAS Registry Number | Not Available |
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| SMILES | O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1 |
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| InChI Key | YKMGQFUXYYTRLF-SLJXNWFNSA-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
- Cyclohexanol
- Monoalkyl phosphate
- Dialkyl phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Dicarboxylic acid or derivatives
- Fatty acid
- Secondary alcohol
- Polyol
- Carboxylic acid
- Carboxylic acid derivative
- Carbonyl group
- 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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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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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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| Spectra |
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| Spectra | |
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