| Record Information |
|---|
| Version |
3.5 |
| Creation Date |
2005-11-16 08:48:42 -0700 |
| Update Date |
2013-02-08 17:08:05 -0700 |
| HMDB ID |
HMDB00213 |
| Secondary Accession Numbers |
None |
| Metabolite Identification |
|---|
| Common Name |
Myo-inositol 1-phosphate |
| Description |
Myo-inositol 1-phosphate is a metabolite of the Inositol phosphate metabolism and the Phosphatidylinositol signaling system. Inositol phosphatases [EC:3.1.3.25] play a crucial role in the phosphatidylinositol signaling pathway; in brain, the expression is substantially higher in the subcortical regions, most prominently in the caudate. The phosphatidylinositol pathway is thought to be modified by lithium, a commonly prescribed medication in treating bipolar disorder. (OMIM 605922  ). |
| Structure |
Download:
MOL |
SDF |
SMILES |
InChI
Display:
2D Structure |
3D Structure
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| Synonyms |
- 1-(Dihydrogen phosphate) DL-myo-Inositol
- 1-(Dihydrogen phosphate) myo-Inositol
- DL-myo-Inositol 1-phosphate
- Myo-Inositol 1-monophosphate
- Myo-Inositol 1-phosphate
- Myo-Inositol-1-phosphate
- Myoinositol 1-phosphate
|
| Chemical Formula |
C6H13O9P |
| Average Molecular Weight |
260.1358 |
| Monoisotopic Molecular Weight |
260.029718526 |
| IUPAC Name |
{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid |
| Traditional IUPAC Name |
[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid |
| CAS Registry Number |
573-35-3 |
| SMILES |
O[C@H]1[C@H](O)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1O |
| 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 |
| InChI Key |
INAPMGSXUVUWAF-PTQMNWPWSA-N |
| Chemical Taxonomy |
|---|
| Kingdom |
Organic Compounds |
| Super Class |
Aliphatic Homomonocyclic Compounds |
| Class |
Cyclic Alcohols and Derivatives |
| Sub Class |
Cyclitols and Derivatives |
| Other Descriptors |
- Cyclic Alcohols and Derivatives
- Organic Compounds
|
| Substituents |
- 1,2 Diol
- Cyclohexane
- Organic Hypophosphite
- Organic Phosphite
- Phosphoric Acid Ester
- Secondary Alcohol
|
| Direct Parent |
Inositol Phosphates |
| Ontology |
|---|
| Status |
Expected and Not Quantified |
| Origin |
|
| Biofunction |
|
| Application |
Not Available |
| Cellular locations |
Not Available |
| Physical Properties |
|---|
| State |
Solid |
| Experimental Properties |
| Property |
Value |
Reference |
| Melting Point |
195 °C |
Not Available |
| Boiling Point |
Not Available |
Not Available |
| Water Solubility |
333.0 mg/mL |
Not Available |
| LogP |
Not Available |
Not Available |
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| Predicted Properties |
|
| Spectra |
|---|
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| Biological Properties |
|---|
| Cellular Locations |
Not Available
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| Biofluid Locations |
Not Available
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| Tissue Location |
Not Available
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| Pathways |
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| Normal Concentrations |
|---|
|
Not Available |
| Abnormal Concentrations |
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|
Not Available |
| Associated Disorders and Diseases |
|---|
| Disease References |
None |
| Associated OMIM IDs |
None |
| External Links |
|---|
| DrugBank ID |
Not Available |
| Phenol Explorer Compound ID |
Not Available |
| Phenol Explorer Metabolite ID |
Not Available |
| FoodDB ID |
FDB021907 |
| KNApSAcK ID |
Not Available |
| Chemspider ID |
17215924 |
| KEGG Compound ID |
C04006 |
| BioCyc ID |
1-L-MYO-INOSITOL-1-P |
| BiGG ID |
Not Available |
| Wikipedia Link |
Not Available |
| NuGOwiki Link |
HMDB00213 |
| Metagene Link |
HMDB00213 |
| METLIN ID |
5223 |
| PubChem Compound |
Not Available |
| PDB ID |
Not Available |
| ChEBI ID |
18169 |
| References |
|---|
| Synthesis Reference |
Klyashchitskii, B. A.; Pimenova, V. V.; Shvets, V. I.; Sokolov, S. D.; Preobrazhenskii, N. A. Total synthesis of sn-myoinositol 1-phosphate. Zhurnal Obshchei Khimii (1969), 39(10), 2373. |
| Material Safety Data Sheet (MSDS) |
Download (PDF)
|
| General References |
Not Available |
