| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:02:22 UTC |
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| Update Date | 2020-05-11 20:56:04 UTC |
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| BMDB ID | BMDB0002985 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Inositol phosphate |
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| Description | Inositol phosphate, also known as I6P or ins(6)p, 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. Inositol phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). In cattle, inositol phosphate is involved in the metabolic pathway called the inositol phosphate metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| D-myo-Inositol (6)-monophosphate | ChEBI | | D-myo-Inositol (6)-phosphate | ChEBI | | I6P | ChEBI | | Ins(6)P | ChEBI | | Ins6P | ChEBI | | D-myo-Inositol (6)-monophosphoric acid | Generator | | Inositol phosphoric acid | Generator, HMDB | | D-myo-Inositol (6)-phosphoric acid | Generator | | 1D-myo-Inositol 6-phosphoric acid | Generator, HMDB | | D-myo-Inositol 6-phosphate | HMDB | | D-myo-Inositol-6-monophosphate | HMDB | | Inositol 1-phosphate | HMDB | | Inositol monophosphate | HMDB | | Inositol phosphate | HMDB | | Inositophosphoric acid | 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 | {[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid |
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| Traditional Name | [(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid |
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| CAS Registry Number | 15421-51-9 |
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| SMILES | O[C@@H]1[C@@H](O)[C@H](O)[C@@H](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-/m1/s1 |
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| InChI Key | INAPMGSXUVUWAF-XCMZKKERSA-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 | |
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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 | |
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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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