| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-08-06 05:38:09 UTC |
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| Update Date | 2016-08-06 20:10:49 UTC |
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| Lmdb | LMDB00990 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | cis-9,cis-12-Hexadecenoic acid |
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| Description | (9Z,12Z)-hexadecadienoic acid, also known as 9Z,12Z-hexadecadienoate or C16:2N-4,7, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms (9Z,12Z)-hexadecadienoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 9Z,12Z-Hexadecadienoic acid | ChEBI | | C16:2N-4,7 | ChEBI | | Palmitolinoleic acid | ChEBI | | 9Z,12Z-Hexadecadienoate | Generator | | Palmitolinoleate | Generator | | (9Z,12Z)-Hexadecadienoate | Generator |
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| Chemical Formula | C16H28O2 |
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| Average Molecular Weight | 252.398 |
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| Monoisotopic Molecular Weight | 252.208930142 |
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| IUPAC Name | (9Z,12Z)-hexadeca-9,12-dienoic acid |
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| Traditional Name | (9Z,12Z)-hexadeca-9,12-dienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(O)=O |
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| InChI Identifier | InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4-,8-7- |
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| InChI Key | RVEKLXYYCHAMDF-UTOQUPLUSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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 | Long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Long-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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| Status | Detected but not 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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0090000000-f0482f552c4dc7718cdc | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0pbl-7890000000-508b4e2d07b7932210e0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9700000000-99ce9d5cb77f92248037 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-101b1f2a083eac50d3d7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zgi-0090000000-bf11e1ba509c536c0166 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9220000000-78d81a68bec61ae9d738 | Spectrum |
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