Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 20:05:07 UTC |
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Update Date | 2022-03-07 02:54:22 UTC |
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HMDB ID | HMDB0035141 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 1-Isopropyl-2,3-dimethylcyclopentane |
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Description | 1-Isopropyl-2,3-dimethylcyclopentane belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. Based on a literature review a small amount of articles have been published on 1-Isopropyl-2,3-dimethylcyclopentane. |
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Structure | InChI=1S/C10H20/c1-7(2)10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3 |
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Synonyms | Value | Source |
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1,2-Dimethyl-3-(1-methylethyl)cyclopentane, 9ci | HMDB | Iridane | HMDB | Nepetane | HMDB | Oseltamivir | HMDB | Oseltamivir acid | HMDB | Oseltamivir carboxylate | HMDB | Osmane | HMDB |
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Chemical Formula | C10H20 |
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Average Molecular Weight | 140.2658 |
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Monoisotopic Molecular Weight | 140.15650064 |
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IUPAC Name | 1,2-dimethyl-3-(propan-2-yl)cyclopentane |
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Traditional Name | 1-isopropyl-2,3-dimethylcyclopentane |
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CAS Registry Number | 489-20-3 |
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SMILES | CC(C)C1CCC(C)C1C |
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InChI Identifier | InChI=1S/C10H20/c1-7(2)10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3 |
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InChI Key | MKEWIKKSNRXXFU-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Monoterpenoids |
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Direct Parent | Monocyclic monoterpenoids |
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Alternative Parents | |
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Substituents | - Monocyclic monoterpenoid
- Cycloalkane
- Saturated hydrocarbon
- Hydrocarbon
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane GC-MS (Non-derivatized) - 70eV, Positive | splash10-002g-9400000000-024a195672c03a17b650 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 10V, Positive-QTOF | splash10-0006-1900000000-0f8505eb27520742ae56 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 20V, Positive-QTOF | splash10-0006-7900000000-a5efbd3e881a621cc8e0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 40V, Positive-QTOF | splash10-0a4i-9100000000-a551893edc08297eef1a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 10V, Negative-QTOF | splash10-000i-0900000000-d4ef88096c30a28f8b65 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 20V, Negative-QTOF | splash10-000i-0900000000-39672d156e2717ed6827 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 40V, Negative-QTOF | splash10-05g1-6900000000-6445320acccf29cc1b94 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 10V, Positive-QTOF | splash10-0540-9100000000-712043690e8eca3b80a0 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 20V, Positive-QTOF | splash10-0a4i-9000000000-8f9cdaa58efc7edc82af | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 40V, Positive-QTOF | splash10-0a4l-9000000000-2e571f447acb6cbec66d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 10V, Negative-QTOF | splash10-000i-0900000000-61228056f9f6f21ecfb6 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 20V, Negative-QTOF | splash10-000i-0900000000-61228056f9f6f21ecfb6 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Isopropyl-2,3-dimethylcyclopentane 40V, Negative-QTOF | splash10-00di-0900000000-b5831652f5259784f780 | 2021-09-23 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB013777 |
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KNApSAcK ID | C00057409 |
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Chemspider ID | 473682 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 544190 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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