Record Information |
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Version | 4.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:31:16 UTC |
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Update Date | 2020-02-26 21:43:58 UTC |
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HMDB ID | HMDB0029581 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (2E,4E)-2,4-Hexadienoic acid |
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Description | (2E,4E)-2,4-Hexadienoic acid, also known as (e,e)-sa or (e,e)-2,4-hexadienoate, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms (2E,4E)-2,4-Hexadienoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (2E,4E)-2,4-Hexadienoic acid is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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(e,e)-1,3-Pentadiene-1-carboxylic acid | ChEBI | (e,e)-2,4-Hexadienoic acid | ChEBI | (e,e)-SA | ChEBI | (e,e)-Sorbic acid | ChEBI | 1,3-Pentadiene-1-carboxylic acid | ChEBI | alpha-trans-gamma-trans-Sorbic acid | ChEBI | SA | ChEBI | trans,trans-2,4-Hexadienoic acid | ChEBI | trans,trans-SA | ChEBI | trans,trans-Sorbic acid | ChEBI | (e,e)-1,3-Pentadiene-1-carboxylate | Generator | (e,e)-2,4-Hexadienoate | Generator | (e,e)-Sorbate | Generator | 1,3-Pentadiene-1-carboxylate | Generator | a-trans-g-trans-Sorbate | Generator | a-trans-g-trans-Sorbic acid | Generator | alpha-trans-gamma-trans-Sorbate | Generator | Α-trans-γ-trans-sorbate | Generator | Α-trans-γ-trans-sorbic acid | Generator | trans,trans-2,4-Hexadienoate | Generator | trans,trans-Sorbate | Generator | (2E,4E)-2,4-Hexadienoate | Generator | Sorbate | HMDB | (2-Butenylidene)-acetic acid | HMDB | (2-Butenylidene)acetic acid | HMDB | (2E,4E)-Hexa-2,4-dienoic acid | HMDB | 2, 4-Hexadienoic acid potassium salt | HMDB | 2,4-Hexadienoic acid | HMDB | 2-Propenylacrylic acid | HMDB | 2E,4E-Hexadienoic acid | HMDB | Acidum sorbicum | HMDB | alpha-trans-Laquo gammaraquo -trans-sorbic acid | HMDB | Crotylidene acetic acid | HMDB | Crotylidene-acetic acid | HMDB | FEMA 3921 | HMDB | Hexa-2,4-dienoic acid | HMDB | Hexadienic acid | HMDB | Hexadienoic acid | HMDB | Hexadienoic acid, (e,e) | HMDB | Hexadienoic acid1,3-pentadiene-1-carboxylic acid | HMDB | Panosorb | HMDB | Preservastat | HMDB | Sorbic acid (NF) | HMDB | Sorbic acid, potassium salt | HMDB | Sorbistat | HMDB | trans-trans-2,4-Hexadienoic acid | HMDB | (2E,4E)-2,4-Hexadienoic acid | ChEBI | Acid, sorbic | MeSH | Sorbate, sodium | MeSH | Sorbate, potassium | MeSH | Acid, propenylacrylic | MeSH | Potassium sorbate | MeSH | Sodium sorbate | MeSH | Acid, hexadienoic | MeSH | Propenylacrylic acid | MeSH |
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Chemical Formula | C6H8O2 |
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Average Molecular Weight | 112.1265 |
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Monoisotopic Molecular Weight | 112.0524295 |
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IUPAC Name | (2E,4E)-hexa-2,4-dienoic acid |
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Traditional Name | sorbic acid |
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CAS Registry Number | 110-44-1 |
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SMILES | C\C=C\C=C\C(O)=O |
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InChI Identifier | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+ |
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InChI Key | WSWCOQWTEOXDQX-MQQKCMAXSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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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 | Fatty acids and conjugates |
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Direct Parent | Medium-chain fatty acids |
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Alternative Parents | |
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Substituents | - Medium-chain fatty acid
- Unsaturated fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 134.5 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 1.91 mg/mL at 30 °C | Not Available | LogP | 1.33 | Not Available |
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Predicted Properties | |
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| Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-9100000000-5613b88acb29c3469c89 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00xr-9200000000-957aa1f63b275675dc73 | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - , negative | splash10-03di-2900000000-d4eb42b36810ed470695 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03dj-9600000000-5c19197e14f2cfc99e02 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uxr-9100000000-e177123e55a992422e1a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-9000000000-b3dd13da1d673c99f853 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-2900000000-8b6fa6fb8d8182477feb | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03xr-9800000000-7a9de47828353460dce7 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00kf-9000000000-3559005a9bdd1b4a889e | Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-02td-9100000000-b3752b25f6984879cf22 | Spectrum |
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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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