| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-25 21:06:48 UTC |
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| Update Date | 2016-11-09 01:17:43 UTC |
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| Accession Number | CHEM023518 |
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| Identification |
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| Common Name | Chiro-Inositol |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (-)-Inositol | ChEBI | | (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexol | ChEBI | | 1,2,4/3,5,6-cyclohexanehexol | ChEBI | | L-Inositol | ChEBI |
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| Chemical Formula | C6H12O6 |
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| Average Molecular Mass | 180.156 g/mol |
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| Monoisotopic Mass | 180.063 g/mol |
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| CAS Registry Number | Not Available |
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| IUPAC Name | (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol |
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| Traditional Name | L-chiro-inositol |
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| SMILES | O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1 |
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| InChI Key | CDAISMWEOUEBRE-LKPKBOIGSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. |
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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 | Cyclohexanols |
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| Alternative Parents | |
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| Substituents | - Cyclohexanol
- Sugar alcohol
- Cyclitol or derivatives
- Cyclic alcohol
- Polyol
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-014i-0359000000-cec32f7b73a366b3f067 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-03dr-9700000000-6cc8567e1b238f96f926 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0900000000-5cb39f92646251665ebf | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0900000000-2aeb7708f31c772e2d95 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-08gi-8900000000-74f89711a1c6891808a4 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-8b68ff47f846a8ca1ddd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-1900000000-03ef8572289795275d9c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0570-9300000000-950a37bd331028801e9f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-c98742ed2c27fed8805b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0570-9700000000-4e8df481dc1f1c124743 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-ea5996664694b27554a8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0900000000-a3b1806f4d2d4bc9e470 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03e9-9500000000-40e1f34ad1ad2b894cd9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dl-9000000000-5d72027b1e4acffd4c29 | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0034220 |
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| FooDB ID | FDB001138 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | 10199754 |
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| ChEBI ID | 27374 |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | M2MDB004665 |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | | 1. Dai X, Zhang L, Hong T: Host cellular signaling induced by influenza virus. Sci China Life Sci. 2011 Jan;54(1):68-74. doi: 10.1007/s11427-010-4116-z. Epub 2011 Jan 21. | | 2. Cadman ED, Naugles DD, Lee CM: cAMP is not involved in interleukin-1-induced interleukin-6 release from human astrocytoma cells. Neurosci Lett. 1994 Sep 12;178(2):251-4. | | 3. Chen G, Kirby M, Zeng W, Young NS, Maciejewski JP: Superior growth of glycophosphatidy linositol-anchored protein-deficient progenitor cells in vitro is due to the higher apoptotic rate of progenitors with normal phenotype in vivo. Exp Hematol. 2002 Jul;30(7):774-82. | | 4. Kim CH, Park YS, Chung KN, Elwood PC: Sorting of the human folate receptor in MDCK cells. J Biochem Mol Biol. 2004 May 31;37(3):362-9. | | 5. Butlen D, Bernard C, Ammar A, Ferrary E: Purine and pyrimidine nucleotide-sensitive phosphoinositidase C in ampulla from frog semicircular canal. Am J Physiol. 1997 Jan;272(1 Pt 2):R51-8. | | 6. Pak Y, Huang LC, Lilley KJ, Larner J: In vivo conversion of [3H]myoinositol to [3H]chiroinositol in rat tissues. J Biol Chem. 1992 Aug 25;267(24):16904-10. | | 7. Matsumoto T, Kawanobe Y, Morita K, Ogata E: Effect of 1,25-dihydroxyvitamin D3 on phospholipid metabolism in a clonal osteoblast-like rat osteogenic sarcoma cell line. J Biol Chem. 1985 Nov 5;260(25):13704-9. | | 8. Takeuchi K, Shibamoto S, Nagamine K, Shigemori I, Omura S, Kitamura N, Ito F: Signaling pathways leading to transcription and translation cooperatively regulate the transient increase in expression of c-Fos protein. J Biol Chem. 2001 Jul 13;276(28):26077-83. Epub 2001 May 14. | | 9. Bates SH, Jones RB, Bailey CJ: Insulin-like effect of pinitol. Br J Pharmacol. 2000 Aug;130(8):1944-8. | | 10. Warita H, Manabe Y, Murakami T, Shiro Y, Nagano I, Abe K: Early decrease of survival signal-related proteins in spinal motor neurons of presymptomatic transgenic mice with a mutant SOD1 gene. Apoptosis. 2001 Oct;6(5):345-52. | | 11. Pampillo M, Camuso N, Taylor JE, Szereszewski JM, Ahow MR, Zajac M, Millar RP, Bhattacharya M, Babwah AV: Regulation of GPR54 signaling by GRK2 and {beta}-arrestin. Mol Endocrinol. 2009 Dec;23(12):2060-74. doi: 10.1210/me.2009-0013. Epub 2009 Oct 21. | | 12. Anzai-Takeda Y, Takeda Y, Sendo F, Araki Y: Inhibition of cell spreading in CHO cells transfected with cDNA of a glycosylphosphatidyl inositol-anchored protein, GPI-80. Immunobiology. 2005;210(1):1-10. | | 13. Pak Y, Larner J: Identification and characterization of chiroinositol-containing phospholipids from bovine liver. Biochem Biophys Res Commun. 1992 Apr 30;184(2):1042-7. | | 14. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. |
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