| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-05-31 14:30:44 -0600 |
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| Update Date | 2015-06-03 17:19:26 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | Inositol 1,2,3,5,6-pentakisphosphate |
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| Description | Inositol 1,2,3,5,6-pentakisphosphate is a member of the chemical class known as Inositol Phosphates. These are compounds containing one or more phosphate groups attached to an inositol (or cyclohexanehexol) moiety. |
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| Structure | |
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| Synonyms: | - 1D-3-O-methyl-myo-inositol
- 1D-3-O-Methyl-myo-inositol
- 1D-Myo-inositol 1,2,3,4,5-pentakis(dihydrogen phosphate)
- 1D-myo-Inositol 1,2,3,4,5-pentakis(dihydrogen phosphoric acid)
- 1D-Myo-Inositol 1,2,3,4,5-pentakisphosphate
- 1D-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid
- 1L-Myo-Inositol 1,2,3,4,5-pentakisphosphate
- 1l-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid
- 3-O-methyl-myo-inositol
- 3-O-Methyl-myo-inositol
- D-Myo-Inositol 1,2,3,4,5-pentakisphosphate
- D-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid
- Inositol 1,2,3,4,5-pentakisphosphate
- Inositol 1,2,3,4,5-pentakisphosphoric acid
- Inositol 1,2,3,5,6-pentakisphosphoric acid
- Insp5
- L-Myo-Inositol 1,2,3,4,5-pentakisphosphate
- L-myo-Inositol 1,2,3,4,5-pentakisphosphoric acid
- Myo-Inositol 1,2,3,4,5-pentakisphosphate
- myo-Inositol 1,2,3,4,5-pentakisphosphoric acid
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| Chemical Formula: | C6H17O21P5 |
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| Weight: | Average: 580.0554
Monoisotopic: 579.895040166 |
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| InChI Key: | CTPQAXVNYGZUAJ-LXOASSSBSA-N |
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| InChI: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1?,2-,3+,4-,5-,6?/m0/s1 |
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| CAS number: | Not Available |
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| IUPAC Name: | {[(1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid |
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| Traditional IUPAC Name: | [(1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid |
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| SMILES: | [H]C1(O)[C@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]1([H])OP(O)(O)=O |
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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
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State: | Not Available |
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| Charge: | -10 |
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| Melting point: | Not Available |
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| Experimental Properties: | |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations: | Cytoplasm |
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| Reactions: | |
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| SMPDB Pathways: | Not Available |
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| KEGG Pathways: | - Inositol phosphate metabolism ec00562
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| EcoCyc Pathways: | Not Available |
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| Concentrations |
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| Not Available |
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| Spectra |
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| Spectra: | |
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| References |
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| References: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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| Synthesis Reference: | Not Available |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| Links |
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| External Links: | |
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