| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-08-01 08:03:09 UTC |
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| Update Date | 2016-08-01 19:18:17 UTC |
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| Lmdb | LMDB00867 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | cis-12-Octadecenoic acid |
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| Description | (12Z)-octadec-12-enoic acid 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. Based on a literature review very few articles have been published on (12Z)-octadec-12-enoic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (12Z)-Octadec-12-enoate | Generator | | 12-Octadecenoic acid | MeSH | | 12-Octadecenoic acid, (cis)-isomer | MeSH | | 12-Octadecenoic acid, (trans)-isomer | MeSH | | 12-Octadecenoic acid, sodium salt, (Z)-isomer | MeSH | | cis-12-Octadecenoic acid | MeSH | | trans-12-Octadecenoic acid | MeSH | | cis-12-Octadecenoate | Generator | | cis-12-Oleate | 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 | (12Z)-octadec-12-enoic acid |
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| Traditional Name | cis-12-octadecenoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCC)=C(/[H])CCCCCCCCCCC(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/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6- |
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| InChI Key | OXEDXHIBHVMDST-SREVYHEPSA-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 | splash10-014i-0090000000-416d0295409674fb6201 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00s9-4490000000-286c1770d00fed705f48 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0096-8930000000-dddcc9737461f6b751d0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-1b80c5a75129c09b94ae | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01qi-0090000000-594a087f3d32d156a36b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9240000000-f0de86795f91fdc1c255 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00lr-4390000000-e59df42af984243f5bff | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00ls-9730000000-4a3df3e7d0be1a8078f0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0apm-9100000000-9276082bf45c7e66e588 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-8b8562cadde7e7a8ba4f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01q9-0090000000-2a16857318c9d0d792d1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-9620000000-87fa40968442517168b8 | Spectrum |
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