Record Information |
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Version | 4.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:29:53 UTC |
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Update Date | 2020-02-26 21:43:27 UTC |
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HMDB ID | HMDB0029351 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Geranyl hexanoate |
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Description | Geranyl hexanoate, also known as fema 2515 or geranyl caproate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Geranyl hexanoate 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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Geranyl hexanoic acid | Generator | (2E)-3,7-Dimethyl-2,6-octadienyl hexanoate | HMDB | (e)-3,7-Dimethyl-2,6-octadienyl hexanoate | HMDB | (e)-3,7-Dimethylocta-2,6-dien-1-yl N-hexanoate | HMDB | 3,7-Dimethyl-2,6-octadienyl ester(e)-hexanoic acid | HMDB | 3,7-Dimethyl-hexanoate(e)-2,6-octadien-1-ol | HMDB | 3,7-Dimethylocta-2,6-dien-1-yl ester(e)-hexanoic acid | HMDB | FEMA 2515 | HMDB | Geranyl caproate | HMDB | Geranyl N-hexanoate | HMDB | Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester | HMDB | Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester | HMDB | Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester | HMDB | Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester | HMDB | Neryl caproate | HMDB | Neryl hexanoate | HMDB | trans-3,7-Dimethyl-2,6-octadien-1-yl hexanoate | HMDB | (Z)-3,7-Dimethyl-2,6-octadienyl hexanoic acid | Generator |
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Chemical Formula | C16H28O2 |
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Average Molecular Weight | 252.3923 |
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Monoisotopic Molecular Weight | 252.20893014 |
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IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate |
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Traditional Name | (2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate |
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CAS Registry Number | 10032-02-7 |
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SMILES | CCCCCC(=O)OC\C=C(\C)CCC=C(C)C |
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InChI Identifier | InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12- |
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InChI Key | ARVSCQUZFFSNKF-QINSGFPZSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. |
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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 alcohol esters |
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Direct Parent | Fatty alcohol esters |
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Alternative Parents | |
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Substituents | - Fatty alcohol ester
- Monoterpenoid
- Acyclic monoterpenoid
- Fatty acid ester
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- 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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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Biological role: Industrial application: |
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Physical Properties |
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State | Liquid |
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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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| Spectrum Type | Description | Splash Key | View |
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GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-00kf-9100000000-14dc62fff3ebd1344615 | Spectrum | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-00kf-9100000000-14dc62fff3ebd1344615 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-05n0-9710000000-078c64f44658809006fd | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udr-6890000000-b525fc40a381e625496d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052s-9400000000-100284476e9b34d01d78 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0aor-9100000000-f8516990d6c1fe74a824 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udj-6690000000-e2e8912f2dbb25d5077f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014j-5910000000-ffb60532bff1d0e2a35f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01bd-9700000000-1b62b55a38eb09eb33ed | Spectrum |
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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 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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