| Record Information |
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| Version | 1.0 |
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| Creation Date | 2018-07-17 17:48:05 UTC |
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| Update Date | 2020-06-04 21:33:07 UTC |
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| BMDB ID | BMDB0062546 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 9Z,12E-Octadecadienoic acid |
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| Description | (9Z,12E)-octadecadienoic acid, also known as 9Z,12E-octadecadienoate or 18:2Delta9cis,12trans, 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 (9Z,12E)-octadecadienoic acid is a weakly acidic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 18:2DElta9cis,12trans | ChEBI | | 9Z,12E-Octadecadienoic acid | ChEBI | | C18:2N-6,9 | ChEBI | | cis-9, trans-12-Octadecadienoic acid | ChEBI | | trans-Delta12 Linoleic acid | ChEBI | | 9Z,12E-Octadecadienoate | Generator | | cis-9, trans-12-Octadecadienoate | Generator | | trans-delta12 Linoleate | Generator | | trans-Δ12 linoleate | Generator | | trans-Δ12 linoleic acid | Generator | | (9Z,12E)-Octadecadienoate | Generator | | (9Z,12E)-Octadeca-9,12-dienoate | Generator | | 9,12-Octadecadienoic acid | MeSH | | Linoleic acid, calcium salt, (Z,Z)-isomer | MeSH | | Linoleic acid, (Z,e)-isomer | MeSH | | 9 trans,12 trans Octadecadienoic acid | MeSH | | Linoelaidic acid | MeSH | | Linoleic acid, sodium salt, (Z,Z)-isomer | MeSH | | Linoelaidic acid, (e,Z)-isomer | MeSH | | Linoleic acid, sodium salt, (e,e)-isomer | MeSH | | Linolelaidic acid | MeSH | | 9-trans,12-trans-Octadecadienoic acid | MeSH | | Linoleate | MeSH | | Linoleic acid | MeSH | | Linoleic acid, (Z,Z)-isomer, 14C-labeled | MeSH | | cis,cis-9,12-Octadecadienoic acid | MeSH | | 9,12 Octadecadienoic acid | MeSH | | Acid, 9,12-octadecadienoic | MeSH | | trans,trans-9,12-Octadecadienoic acid | MeSH | | Linoleic acid, (e,e)-isomer | MeSH | | Linoleic acid, (Z,Z)-isomer | MeSH | | Linoleic acid, ammonium salt, (Z,Z)-isomer | MeSH | | Linoleic acid, potassium salt, (Z,Z)-isomer | MeSH |
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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 | (9Z,12E)-octadeca-9,12-dienoic acid |
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| Traditional Name | (9Z,12E)-octadeca-9,12-dienoic acid |
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| CAS Registry Number | 2420-42-0 |
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| SMILES | [H]\C(CCCCC)=C(\[H])C\C([H])=C(\[H])CCCCCCCC(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/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9- |
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| InChI Key | OYHQOLUKZRVURQ-KQHSAVHASA-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 | |
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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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