Record Information |
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Version | 2.0 |
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Creation Date | 2012-08-15 08:51:30 -0600 |
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Update Date | 2015-07-07 11:41:01 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Aldehyde |
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Description | A dialdehyde is an organic chemical compound with two aldehyde groups. The nomenclature of dialdehydes have the ending -dial or sometimes -dialdehyde. Short aliphatic dialdehydes are sometimes named after the diacid from which they can de derived. An example is butanedial, which is also called succinaldehyde (from succinic acid).; Aldehydes are readily identified by spectroscopic methods. Using IR spectroscopy, they display a strong νCO band near 1700 cm−1. In their 1H NMR spectra, the formyl hydrogen center absorbs near δ9, which is a distinctive part of the spectrum. This signal shows the characteristic coupling to any protons on the alpha carbon.; An aldehyde ( /ˈældɨhaɪd/) is an organic compound containing a formyl group. This functional group, with the structure R-CHO, consists of a carbonyl center (a carbon double bonded to oxygen) bonded to hydrogen and an R group, which is any generic alkyl or side chain. The group without R is called the aldehyde group or formyl group. Aldehydes differ from ketones in that the carbonyl is placed at the end of a carbon skeleton rather than between two carbon atoms. Aldehydes are common in organic chemistry. Many fragrances are aldehydes. |
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Structure | |
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Synonyms: | - Aldehido
- Aldehidos
- Aldehyd
- Aldehyde
- Aldehydes
- Aldehydum
- An aldehyde
- Formaldehyde
- Formalin
- Methanal
- Methylene oxide
- Oxomethane
- Oxomethylene
- RC(2O)H
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Chemical Formula: | C20H30O5 |
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Weight: | Average: 350.4492 Monoisotopic: 350.20932407 |
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InChI Key: | LVLQYGYNBVIONY-PSPARDEHSA-N |
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InChI: | InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1 |
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CAS number: | 72379-22-7 |
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IUPAC Name: | (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid |
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Traditional IUPAC Name: | 20-aldehyde leukotriene B4 |
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SMILES: | O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Eicosanoids |
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Direct Parent | Leukotrienes |
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Alternative Parents | |
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Substituents | - Leukotriene
- Hydroxyeicosatetraenoic acid
- Long-chain fatty acid
- Hydroxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Alpha-hydrogen aldehyde
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Aldehyde
- 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: | -1 |
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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: | - 1- and 2-Methylnaphthalene degradation ec00624
- 3-Chloroacrylic acid degradation ec00641
- Butanoate metabolism ec00650
- Caprolactam degradation ec00930
- Chloroalkane and chloroalkene degradation ec00625
- Drug metabolism - cytochrome P450 ec00982
- Fatty acid metabolism ec00071
- Glycerolipid metabolism ec00561
- Glycine, serine and threonine metabolism ec00260
- Glycolysis / Gluconeogenesis ec00010
- Isoquinoline alkaloid biosynthesis ec00950
- Metabolic pathways eco01100
- Metabolism of xenobiotics by cytochrome P450 ec00980
- Microbial metabolism in diverse environments ec01120
- Naphthalene degradation ec00626
- Pentose and glucuronate interconversions ec00040
- Phenylalanine metabolism ec00360
- Pyruvate metabolism ec00620
- Retinol metabolism ec00830
- Sulfur metabolism ec00920
- Tropane, piperidine and pyridine alkaloid biosynthesis ec00960
- Tyrosine metabolism ec00350
- alpha-Linolenic acid metabolism ec00592
- beta-Alanine metabolism ec00410
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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 | splash10-001i-4988000000-53e597a21bd896c4a805 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive | splash10-0fb9-5211930000-66a5c8ed75ca098169de | 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 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 | splash10-00lr-0009000000-71f71f823ff27878d9ec | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0159-2469000000-ac965d5f539e60c86898 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00g3-8691000000-01e84f4ad6ae6758b338 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000t-0009000000-30512f86878821f6b67c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001j-2129000000-e45a1d18efbcfb315252 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9110000000-83c7268674cfd841cd05 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000t-0009000000-42a0d7ed5251c08a184c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-053r-4159000000-4e55e4ea9073cc0db8d9 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9581000000-5c4231804493ffb591d1 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0159-0039000000-4c6247753babc5559eba | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0api-2196000000-ec888b6cefe1abcbfc83 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00g0-6490000000-52483e12abc7de057f68 | View in MoNA |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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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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