Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 19:24:20 UTC |
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Update Date | 2022-09-22 18:35:03 UTC |
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HMDB ID | HMDB0341157 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | FA 18:5+2O |
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Description | FA 18:5+2O 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. Based on a literature review very few articles have been published on FA 18:5+2O. |
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Structure | [H]/C(=C(/[H])\C(\[H])=C(/[H])C(=O)CCCCCCCC(O)=O)/C(/[H])=C(\[H])C(=O)CC InChI=1S/C18H26O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+ |
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Synonyms | Not Available |
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Chemical Formula | C18H26O4 |
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Average Molecular Weight | 306.402 |
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Monoisotopic Molecular Weight | 306.183109317 |
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IUPAC Name | (10E,12E,14E)-9,16-dioxooctadeca-10,12,14-trienoic acid |
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Traditional Name | (10E,12E,14E)-9,16-dioxooctadeca-10,12,14-trienoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]/C(=C(/[H])\C(\[H])=C(/[H])C(=O)CCCCCCCC(O)=O)/C(/[H])=C(\[H])C(=O)CC |
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InChI Identifier | InChI=1S/C18H26O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+ |
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InChI Key | PQPRTPXWQQQKJC-KDXRDGMUSA-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
- Keto fatty acid
- Fatty acid
- Unsaturated fatty acid
- Acryloyl-group
- Enone
- Alpha,beta-unsaturated ketone
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- 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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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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