Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2012-09-11 17:44:18 UTC |
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Update Date | 2023-02-21 17:20:58 UTC |
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HMDB ID | HMDB0031604 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (E)-2-Penten-1-ol |
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Description | (E)-2-Penten-1-ol, also known as cis-pent-2-en-1-ol or 2-(Z)-pentenol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, (e)-2-penten-1-ol is considered to be a fatty alcohol (E)-2-Penten-1-ol is a green tasting compound (E)-2-Penten-1-ol has been detected, but not quantified in, asparagus (Asparagus officinalis) and broccolis (Brassica oleracea var. italica). This could make (e)-2-penten-1-ol a potential biomarker for the consumption of these foods (E)-2-Penten-1-ol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on (E)-2-Penten-1-ol. |
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Structure | InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3- |
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Synonyms | Value | Source |
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(2Z)-2-Penten-1-ol | ChEBI | (2Z)-Penten-1-ol | ChEBI | (Z)-2-Pentenol | ChEBI | (Z)-Pent-2-en-1-ol | ChEBI | 2-(Z)-Pentenol | ChEBI | cis-2-Penten-1-ol | ChEBI | cis-2-Pentenol | ChEBI | cis-Pent-2-en-1-ol | ChEBI | cis-Pent-2-ene-1-ol | ChEBI | (e)-2-Pentenol | HMDB | 2-(e)-Penten-1-ol | HMDB | 2-Penten-1-ol | HMDB | Pent-2(e)-enol | HMDB | trans-2-Pentenol | HMDB |
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Chemical Formula | C5H10O |
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Average Molecular Weight | 86.1323 |
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Monoisotopic Molecular Weight | 86.073164942 |
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IUPAC Name | (2Z)-pent-2-en-1-ol |
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Traditional Name | (2Z)-pent-2-en-1-ol |
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CAS Registry Number | 1576-96-1 |
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SMILES | CC\C=C/CO |
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InChI Identifier | InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3- |
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InChI Key | BTSIZIIPFNVMHF-ARJAWSKDSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). |
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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 | Primary alcohols |
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Alternative Parents | |
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Substituents | - Hydrocarbon derivative
- Primary alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | |
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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 IndicesUnderivatizedDerivatized |
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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 - (E)-2-Penten-1-ol GC-MS (Non-derivatized) - 70eV, Positive | splash10-05p6-9000000000-5b218a84529fbf7dacfa | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (E)-2-Penten-1-ol GC-MS (1 TMS) - 70eV, Positive | splash10-009f-9200000000-160ff6a33ce26c5ea9f6 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (E)-2-Penten-1-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-0a4l-9000000000-da18eb4df2db7b17d225 | 2015-03-01 | Not Available | 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 - (E)-2-Penten-1-ol 10V, Positive-QTOF | splash10-014r-9000000000-88e1035be9943615bd74 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 20V, Positive-QTOF | splash10-014i-9000000000-e1f572b289c4afa7f283 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 40V, Positive-QTOF | splash10-00kf-9000000000-da772ca175cc5e99fd58 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 10V, Negative-QTOF | splash10-000i-9000000000-fbd987c498d4e8187ae6 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 20V, Negative-QTOF | splash10-000i-9000000000-71c8df2b33331cefeca5 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 40V, Negative-QTOF | splash10-00kf-9000000000-3da067dc653af6802c49 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 10V, Positive-QTOF | splash10-014l-9000000000-c3943f4e1b8d70017189 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 20V, Positive-QTOF | splash10-0006-9000000000-9263d08b895fefaaa031 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 40V, Positive-QTOF | splash10-000f-9000000000-b7f94f42ecb6ec234644 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 10V, Negative-QTOF | splash10-000i-9000000000-2091e44a102d8284a813 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 20V, Negative-QTOF | splash10-000i-9000000000-a2aa68487a473e43ed65 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E)-2-Penten-1-ol 40V, Negative-QTOF | splash10-0pvi-9000000000-499ee9d64becce66f8f2 | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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