Record Information |
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Version | 2.0 |
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Creation Date | 2015-06-04 19:21:40 -0600 |
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Update Date | 2015-09-17 15:42:02 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | (S)-Lactaldehyde |
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Description | |
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Structure | |
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Synonyms: | - (+-)-2-Hydroxypropanal
- (S)-Lactaldehyde
- 2-Hydroxypropanal
- 2-Hydroxypropionaldehyde
- a-Hydroxypropionaldehyde
- alpha-Hydroxypropionaldehyde
- Hydroxypropionaldehyde
- L-2-Hydroxypropionaldehyde
- L-Lactaldehyde
- α-Hydroxypropionaldehyde
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Chemical Formula: | C3H6O2 |
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Weight: | Average: 74.079 Monoisotopic: 74.036779433 |
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InChI Key: | BSABBBMNWQWLLU-UHFFFAOYSA-N |
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InChI: | InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3 |
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CAS number: | 3913-64-2 |
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IUPAC Name: | (2S)-2-hydroxypropanal |
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Traditional IUPAC Name: | L-lactaldehyde |
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SMILES: | [H]C(=O)C(C)O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alpha-hydroxyaldehydes. These are organic compounds containing an aldehyde substituted with a hydroxyl group on the adjacent carbon. |
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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 | Carbonyl compounds |
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Direct Parent | Alpha-hydroxyaldehydes |
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Alternative Parents | |
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Substituents | - Alpha-hydroxyaldehyde
- Secondary alcohol
- Organic oxide
- Hydrocarbon derivative
- Short-chain aldehyde
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State: | Not Available |
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Charge: | 0 |
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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: | |
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KEGG Pathways: | - Fructose and mannose metabolism ec00051
- Glyoxylate and dicarboxylate metabolism ec00630
- Microbial metabolism in diverse environments ec01120
- Pentose and glucuronate interconversions ec00040
- Propanoate metabolism ec00640
- Pyruvate metabolism ec00620
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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: | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-056v-9000000000-fe4416498788a968e467 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00fr-9300000000-12b08b93303d8cbf5c3a | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-9000000000-1aa2338222aff31e5e0f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056r-9000000000-c450e557b2fe7c5dc5a1 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a6r-9000000000-dceca37df952939d1084 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-9000000000-cd6930d73efb436bc0ff | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9000000000-97d1b594dd3b1d9b08b8 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-90fa8913085480b29a8a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-05fr-9000000000-518c4b32efb3532122ea | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05fr-9000000000-90bd5b8f63ecfac6a42a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-23a60e5f52ca732e0f56 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-9000000000-feb30b99fe1a3132abb8 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4j-9000000000-f5b28df550bdfcf22cc7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052s-9000000000-db6ce3d247485bf9581b | View in MoNA |
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References |
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References: | Not Available |
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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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