Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2017-03-16 03:37:46 UTC |
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Update Date | 2022-03-07 03:17:51 UTC |
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HMDB ID | HMDB0062242 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 7Z-octadecenoic acid |
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Description | 7Z-octadecenoic acid, also known as 7Z-Octadecenoate, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 7Z-octadecenoic acid is considered to be practically insoluble (in water) and acidic. 7Z-octadecenoic acid is a fatty acid lipid molecule |
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Structure | [H]\C(CCCCCCCCCC)=C(/[H])CCCCCC(O)=O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11- |
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Synonyms | Value | Source |
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7Z-Octadecenoate | Generator |
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Chemical Formula | C18H34O2 |
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Average Molecular Weight | 282.468 |
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Monoisotopic Molecular Weight | 282.255880335 |
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IUPAC Name | (7Z)-octadec-7-enoic acid |
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Traditional Name | cis-7-octadecenoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]\C(CCCCCCCCCC)=C(/[H])CCCCCC(O)=O |
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InChI Identifier | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11- |
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InChI Key | RVUCYJXFCAVHNC-QXMHVHEDSA-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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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | 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 | 0.00012 g/l | ALOGPS | LogP | 7.70 | ALOGPS |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 7Z-octadecenoic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-002f-9740000000-943e29c0f2e85156113a | 2017-09-20 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 7Z-octadecenoic acid GC-MS (1 TMS) - 70eV, Positive | splash10-009i-9431000000-bbb1114090101f090aab | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 7Z-octadecenoic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 10V, Positive-QTOF | splash10-014i-0090000000-9c1485b79737ef8d0cc1 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 20V, Positive-QTOF | splash10-0fy9-3590000000-1e37a2368dd4d3dda3e9 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 40V, Positive-QTOF | splash10-006x-9830000000-a5f1dab74508d08c6f64 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 10V, Negative-QTOF | splash10-001i-0090000000-1b80c5a75129c09b94ae | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 20V, Negative-QTOF | splash10-01qi-0090000000-594a087f3d32d156a36b | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 40V, Negative-QTOF | splash10-0a4l-9230000000-a56c10c5a60f4609fdb1 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 10V, Negative-QTOF | splash10-001i-0090000000-5b85b3ec95e2e81e0c36 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 20V, Negative-QTOF | splash10-01q9-0090000000-8fd5d68f9acb2ee3cb34 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 40V, Negative-QTOF | splash10-0006-9170000000-379bd5d7a172c954e633 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 10V, Positive-QTOF | splash10-00lr-3190000000-6da4990b3762317b18a7 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 20V, Positive-QTOF | splash10-014j-3390000000-a3da7d06b698e6ce8e7c | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 7Z-octadecenoic acid 40V, Positive-QTOF | splash10-0a4i-9100000000-d165d32112b556ac0034 | 2021-09-23 | Wishart Lab | View Spectrum |
| Show more...
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Biological Properties |
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Cellular Locations | Not Available |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | Not Available |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | Not Available |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | M00115 |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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