| Record Information |
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| Version | 1.0 |
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| Creation Date | 2018-06-25 21:54:21 UTC |
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| Update Date | 2020-06-04 21:28:56 UTC |
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| BMDB ID | BMDB0062150 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 11E, 13E-Octadecadienoic acid |
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| Description | 11E, 13E-Octadecadienoic acid, also known as 11e, 13e-octadecadienoate, belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. 11E, 13E-Octadecadienoic acid is possibly soluble (in water) and a weakly acidic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 11,13-Octadecadienoate | Generator | | 11E, 13E-Octadecadienoate | Generator |
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| Chemical Formula | C18H32O2 |
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| Average Molecular Weight | 280.452 |
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| Monoisotopic Molecular Weight | 280.24023027 |
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| IUPAC Name | (11E,13E)-octadeca-11,13-dienoic acid |
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| Traditional Name | (11E,13E)-octadeca-11,13-dienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCC)=C(\[H])/C(/[H])=C(\[H])CCCCCCCCCC(O)=O |
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| InChI Identifier | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,9-17H2,1H3,(H,19,20)/b6-5+,8-7+ |
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| InChI Key | JGFMXQLVWUGIPI-BSWSSELBSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
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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 | Lineolic acids and derivatives |
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| Direct Parent | Lineolic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Octadecanoid
- Long-chain fatty acid
- 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 | Not Available |
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| Ontology |
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| Status | Detected and Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental 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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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| Adipose Tissue | Detected and Quantified | 242.0272 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 39.0798 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 4388.31 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 1139.54 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 1894.87 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 584.13 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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| General References | - Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
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