| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:26:18 UTC |
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| Update Date | 2020-04-22 15:18:41 UTC |
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| BMDB ID | BMDB0006814 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 1D-myo-Inositol 3-phosphate |
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| Description | 1D-Myo-1d-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. 1D-Myo-1d-1d-myo-inositol 3-phosphate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1D-Myo-1d-1d-myo-inositol 3-phosphate exists in all living organisms, ranging from bacteria to humans. 1D-Myo-1d-1d-myo-inositol 3-phosphate participates in a number of enzymatic reactions, within cattle. In particular, 1D-Myo-1d-1d-myo-inositol 3-phosphate can be converted into myo-inositol through the action of the enzyme inositol monophosphatase 1. In addition, 1D-Myo-1d-1d-myo-inositol 3-phosphate can be biosynthesized from 1D-myo-inositol 3,4-bisphosphate through its interaction with the enzyme type i inositol 3,4-bisphosphate 4-phosphatase. In cattle, 111d-myo-1d-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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| 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 |
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| Chemical Formula | C6H13O9P |
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| Average Molecular Weight | 260.1358 |
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| Monoisotopic Molecular Weight | 260.029718526 |
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| IUPAC Name | {[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid |
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| Traditional Name | [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid |
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| CAS Registry Number | 2831-74-5 |
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| SMILES | OC1[C@H](O)[C@H](O)C(OP(O)(O)=O)[C@@H](O)[C@@H]1O |
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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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| 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 | 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 | Not Available |
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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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