| Record Information |
|---|
| Version |
3.5 |
| Creation Date |
2005-11-16 08:48:42 -0700 |
| Update Date |
2013-02-08 17:10:18 -0700 |
| HMDB ID |
HMDB01313 |
| Secondary Accession Numbers |
None |
| Metabolite Identification |
|---|
| Common Name |
D-Myo-inositol 4-phosphate |
| Description |
D-Myo-inositol 4-phosphate is a substrate for Inositol monophosphatase, Inositol polyphosphate 1-phosphatase and Inositol monophosphatase 2. |
| Structure |
Download:
MOL |
SDF |
SMILES |
InChI
Display:
2D Structure |
3D Structure
|
| Synonyms |
- 1D-Myo-inositol 4-monophosphate
- 1D-Myo-inositol 4-phosphate
- D-Myo-inositol-4-phosphate
- D-Myoinositol 4-phosphate
- Inositol 4-phosphate
- Myo-inositol 4-phosphate
|
| Chemical Formula |
C6H13O9P |
| Average Molecular Weight |
260.1358 |
| Monoisotopic Molecular Weight |
260.029718526 |
| IUPAC Name |
{[(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid |
| Traditional IUPAC Name |
[(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid |
| CAS Registry Number |
46495-39-0 |
| 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-CNWJWELYSA-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 |
- Component of Inositol phosphate metabolism
|
| Application |
Not Available |
| Cellular locations |
- Cytoplasm (predicted from logP)
|
| Physical Properties |
|---|
| State |
Solid |
| Experimental Properties |
| Property |
Value |
Reference |
| Melting Point |
Not Available |
Not Available |
| Boiling Point |
Not Available |
Not Available |
| Water Solubility |
Not Available |
Not Available |
| LogP |
Not Available |
Not Available |
|
| Predicted Properties |
|
| Spectra |
|---|
|
Not Available
|
| Biological Properties |
|---|
| Cellular Locations |
- Cytoplasm (predicted from logP)
|
| Biofluid Locations |
Not Available
|
| Tissue Location |
Not Available
|
| Pathways |
|
| Normal Concentrations |
|---|
|
Not Available |
| Abnormal Concentrations |
|---|
|
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 |
FDB022548 |
| KNApSAcK ID |
Not Available |
| Chemspider ID |
17216102  |
| KEGG Compound ID |
C03546 |
| BioCyc ID |
D-MYO-INOSITOL-4-PHOSPHATE |
| BiGG ID |
42060 |
| Wikipedia Link |
Not Available |
| NuGOwiki Link |
HMDB01313 |
| Metagene Link |
HMDB01313 |
| METLIN ID |
6151 |
| PubChem Compound |
Not Available |
| PDB ID |
Not Available |
| ChEBI ID |
18384 |
| References |
|---|
| Synthesis Reference |
Billington, David C.; Baker, Raymond; Kulagowski, Janusz J.; Mawer, Ian M. Synthesis of myo-inositol 1-phosphate and 4-phosphate, and of their individual enantiomers. Journal of the Chemical Society, Chemical Communications (1987), (4), 314-16. |
| Material Safety Data Sheet (MSDS) |
Not Available
|
| General References |
Not Available |
