| Record Information |
|---|
| Version |
3.5 |
| Creation Date |
2008-08-13 11:37:34 -0600 |
| Update Date |
2013-02-08 17:15:28 -0700 |
| HMDB ID |
HMDB06872 |
| Secondary Accession Numbers |
None |
| Metabolite Identification |
|---|
| Common Name |
D-Tagatose 1,6-bisphosphate |
| Description |
D-Tagatose 1,6-bisphosphate is an intermediate in galactose metabolism. |
| Structure |
Download:
MOL |
SDF |
SMILES |
InChI
Display:
2D Structure |
3D Structure
|
| Synonyms |
- 1,6-Di-O-phosphono-D-tagatofuranose
|
| Chemical Formula |
C6H14O12P2 |
| Average Molecular Weight |
340.1157 |
| Monoisotopic Molecular Weight |
339.996048936 |
| IUPAC Name |
{[(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid |
| Traditional IUPAC Name |
[(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxyphosphonic acid |
| CAS Registry Number |
Not Available |
| SMILES |
O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O |
| InChI Identifier |
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1 |
| InChI Key |
RNBGYGVWRKECFJ-OEXCPVAWSA-N |
| Chemical Taxonomy |
|---|
| Kingdom |
Organic Compounds |
| Super Class |
Carbohydrates and Carbohydrate Conjugates |
| Class |
Monosaccharides |
| Sub Class |
Pentoses |
| Other Descriptors |
- Aliphatic Heteromonocyclic Compounds
- D-tagatose 1,6-bisphosphate(ChEBI)
- Monosaccharide Phosphates
|
| Substituents |
- 1,2 Diol
- Hemiacetal
- Organic Hypophosphite
- Organic Phosphite
- Oxolane
- Phosphoric Acid Ester
- Secondary Alcohol
|
| Direct Parent |
Pentoses |
| Ontology |
|---|
| Status |
Expected and Not Quantified |
| Origin |
|
| Biofunction |
Not Available |
| Application |
Not Available |
| Cellular locations |
Not Available |
| 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 |
Not Available
|
| Biofluid Locations |
Not Available
|
| Tissue Location |
Not Available
|
| Pathways |
Not Available
|
| 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 |
FDB024127 |
| KNApSAcK ID |
Not Available |
| Chemspider ID |
389117  |
| KEGG Compound ID |
C03785 |
| BioCyc ID |
Not Available |
| BiGG ID |
Not Available |
| Wikipedia Link |
Not Available |
| NuGOwiki Link |
HMDB06872 |
| Metagene Link |
HMDB06872 |
| METLIN ID |
Not Available |
| PubChem Compound |
440117 |
| PDB ID |
Not Available |
| ChEBI ID |
4250 |
| References |
|---|
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available
|
| General References |
Not Available
|
