| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2018-06-25 21:54:17 UTC |
|---|
| Update Date | 2020-06-04 21:27:37 UTC |
|---|
| BMDB ID | BMDB0062149 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 12E, 14E-Octadecadienoic acid |
|---|
| Description | 12E, 14E-Octadecadienoic acid, also known as 12e, 14e-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. 12E, 14E-Octadecadienoic acid is possibly soluble (in water) and a weakly acidic compound (based on its pKa). |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| (12E,14E)-Octadeca-12,14-dienoate | Generator | | 12E, 14E-Octadecadienoate | Generator |
|
|---|
| Chemical Formula | C18H32O2 |
|---|
| Average Molecular Weight | 280.452 |
|---|
| Monoisotopic Molecular Weight | 280.24023027 |
|---|
| IUPAC Name | (12E,14E)-octadeca-12,14-dienoic acid |
|---|
| Traditional Name | (12E,14E)-octadeca-12,14-dienoic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H]\C(CCC)=C(\[H])/C(/[H])=C(\[H])CCCCCCCCCCC(O)=O |
|---|
| 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/h4-7H,2-3,8-17H2,1H3,(H,19,20)/b5-4+,7-6+ |
|---|
| InChI Key | NLGIQISOWDWGRJ-YTXTXJHMSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Lineolic acids and derivatives |
|---|
| Direct Parent | Lineolic acids and derivatives |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Status | Detected and Quantified |
|---|
| Origin | Not Available |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| |
| Adipose Tissue | Detected and Quantified | 190.33 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 19.54 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 4050.75 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 520.93 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 2526.49 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Adipose Tissue | Detected and Quantified | 292.0642 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
|
|---|
| 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.
|
|---|
