| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:27:02 UTC |
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| Update Date | 2020-04-22 15:18:54 UTC |
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| BMDB ID | BMDB0006872 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | D-Tagatose 1,6-bisphosphate |
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| Description | D-Tagatose 1,6-bisphosphate belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. D-Tagatose 1,6-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Tagatose 1,6-bisphosphate exists in all living organisms, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1,6-Di-O-phosphono-D-tagatofuranose | ChEBI | | D-Tagatose 1,6-bisphosphoric acid | Generator | | D-Tagatofuranose 1,6-bisphosphate | HMDB | | D-Tagatofuranose 1,6-bisphosphoric acid | HMDB | | D-Tagatose 1,6-bisphosphate | ChEBI |
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| Chemical Formula | C6H14O12P2 |
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| Average Molecular Weight | 340.1157 |
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| Monoisotopic Molecular Weight | 339.996048936 |
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| IUPAC Name | {[(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid |
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| Traditional Name | [(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxyphosphonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O |
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| 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 |
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| InChI Key | RNBGYGVWRKECFJ-OEXCPVAWSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. |
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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 | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Hexose phosphates |
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| Alternative Parents | |
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| Substituents | - Hexose phosphate
- Pentose phosphate
- Pentose-5-phosphate
- C-glycosyl compound
- Glycosyl compound
- Monosaccharide phosphate
- Pentose monosaccharide
- Monoalkyl phosphate
- Organic phosphoric acid derivative
- Alkyl phosphate
- Phosphoric acid ester
- Tetrahydrofuran
- 1,2-diol
- Hemiacetal
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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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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