Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2008-10-29 12:42:11 UTC |
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Update Date | 2022-03-07 02:51:03 UTC |
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HMDB ID | HMDB0011136 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 19(S)-HETE |
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Description | 19(S)-HETE, also known as 19-HETE, belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds. Thus, 19(S)-hete is considered to be an eicosanoid lipid molecule. 19(S)-HETE is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | C[C@H](O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m0/s1 |
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Synonyms | Value | Source |
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(19S)-Hydroxyeicosatetraenoic acid | Kegg | (19S)-Hydroxyicosatetraenoic acid | Kegg | (19S)-Hydroxy arachidonic acid | Kegg | (19S)-Hydroxyeicosatetraenoate | Generator | (19S)-Hydroxyicosatetraenoate | Generator | (19S)-Hydroxy arachidonate | Generator | (19S,5Z,8Z,11Z,14Z)-19-Hydroxy-5,8,11,14-eicosatetraenoic acid | HMDB | (5Z,8Z,11Z,14Z)-(19S)-19-Hydroxyeicosa-5,8,11,14-tetraenoic acid | HMDB | (5Z,8Z,11Z,14Z,19S)-19-Hydroxyeicosa-5,8,11,14-tetraenoic acid | HMDB | (5Z,8Z,11Z,14Z,19S)-19-Hydroxyicosa-5,8,11,14-tetraenoic acid | HMDB | 19(S)-Hydroxy-all-cis-5,8,11,14-eicosatetraenoic acid | HMDB | 19(S)-Hydroxyeicosa-5(Z),8(Z),11(Z),14(Z)-tetraenoic acid | HMDB | (19S,5Z,8Z,11Z,14Z)-19-Hydroxy-5,8,11,14-eicosatetraenoate | HMDB | (5Z,8Z,11Z,14Z)-(19S)-19-Hydroxyeicosa-5,8,11,14-tetraenoate | HMDB | (5Z,8Z,11Z,14Z,19S)-19-Hydroxyeicosa-5,8,11,14-tetraenoate | HMDB | (5Z,8Z,11Z,14Z,19S)-19-Hydroxyicosa-5,8,11,14-tetraenoate | HMDB | 19(S)-Hydroxy-all-cis-5,8,11,14-eicosatetraenoate | HMDB | 19(S)-Hydroxyeicosa-5(Z),8(Z),11(Z),14(Z)-tetraenoate | HMDB | 19(S)-Hydroxyeicosatetraenoic acid | HMDB | 19-HETE | HMDB | 19-Hydroxy-5,8,11,14-eicosatetraenoic acid | HMDB |
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Chemical Formula | C20H32O3 |
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Average Molecular Weight | 320.4663 |
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Monoisotopic Molecular Weight | 320.23514489 |
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IUPAC Name | (5Z,8Z,11Z,14Z,19S)-19-hydroxyicosa-5,8,11,14-tetraenoic acid |
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Traditional Name | 19S-hete |
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CAS Registry Number | 79551-85-2 |
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SMILES | C[C@H](O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O |
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InChI Identifier | InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m0/s1 |
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InChI Key | XFUXZHQUWPFWPR-DZBJBCEBSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds. |
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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 | Eicosanoids |
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Direct Parent | Hydroxyeicosatetraenoic acids |
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Alternative Parents | |
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Substituents | - Hydroxyeicosatetraenoic acid
- Long-chain fatty acid
- Hydroxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxide
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- 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 | |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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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 | Not Available | Not Available | LogP | Not Available | Not Available |
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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 IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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19(S)-HETE,1TMS,isomer #1 | C[C@@H](CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O[Si](C)(C)C | 2738.4 | Semi standard non polar | 33892256 | 19(S)-HETE,1TMS,isomer #2 | C[C@H](O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C | 2588.2 | Semi standard non polar | 33892256 | 19(S)-HETE,2TMS,isomer #1 | C[C@@H](CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C | 2640.6 | Semi standard non polar | 33892256 | 19(S)-HETE,1TBDMS,isomer #1 | C[C@@H](CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C | 2964.0 | Semi standard non polar | 33892256 | 19(S)-HETE,1TBDMS,isomer #2 | C[C@H](O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C | 2833.3 | Semi standard non polar | 33892256 | 19(S)-HETE,2TBDMS,isomer #1 | C[C@@H](CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3137.8 | Semi standard non polar | 33892256 |
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