Record Information |
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Version | 2.0 |
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Creation Date | 2015-09-08 17:48:47 -0600 |
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Update Date | 2015-09-08 17:48:47 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Leukotriene B4 |
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Description | |
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Structure | |
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Synonyms: | Value | Source |
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(5S,6E,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid | ChEBI | (6E,5S,12R)-Leukotriene b4 | ChEBI | 5(S),12(R)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoic acid | ChEBI | 5S,12R-Dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acid | ChEBI | 5S,12R-Dihydroxy-6E,8E,10E,14Z-icosatetraenoic acid | ChEBI | 6-trans-LTB4 | ChEBI | Delta(6)-trans-Leukotriene b4 | ChEBI | Delta(6)-trans-LT b4 | ChEBI | (5S,6E,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate | Generator | 5(S),12(R)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoate | Generator | 5S,12R-Dihydroxy-6E,8E,10E,14Z-eicosatetraenoate | Generator | 5S,12R-Dihydroxy-6E,8E,10E,14Z-icosatetraenoate | Generator | Δ(6)-trans-leukotriene b4 | Generator | Δ(6)-trans-LT b4 | Generator | D6-trans-Leukotriene b4 | HMDB | D6-trans-LTB4 | HMDB | [S-[R*,s*-(e,e,e,Z)]]-5,12-dihydroxy-6,8,10,14-eicosatetraenoate | HMDB | [S-[R*,s*-(e,e,e,Z)]]-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid | HMDB | delta6-trans-LTB4 | HMDB | delta6-trans-Leukotriene b4 | HMDB | Δ6-trans-LTB4 | HMDB | Δ6-trans-leukotriene b4 | HMDB | 5,12-HETE | MeSH | 5,12-DiHETE | MeSH | Leukotriene b-4 | MeSH | Leukotriene b4 | MeSH | 5,12 HETE | MeSH | 5,12 DiHETE | MeSH | b-4, Leukotriene | MeSH | Leukotrienes b | MeSH | LTB4 | MeSH | Leukotriene b | MeSH | Leukotriene b 4 | MeSH | 6-trans-Leukotriene B4 | HMDB |
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Chemical Formula: | C20H32O4 |
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Weight: | Average: 336.4657 Monoisotopic: 336.230059512 |
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InChI Key: | VNYSSYRCGWBHLG-AMOLWHMGSA-N |
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InChI: | InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 |
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CAS number: | Not Available |
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IUPAC Name: | (5S,6E,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid |
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Traditional IUPAC Name: | 6-trans-LTB4 |
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SMILES: | CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated. |
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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 | Leukotrienes |
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Alternative Parents | |
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Substituents | - Leukotriene
- Hydroxyeicosatetraenoic acid
- Long-chain fatty acid
- Hydroxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen 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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Physical Properties |
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State: | Not Available |
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Charge: | -1 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Membrane |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-066r-7896000000-782d01776a33cc451555 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive | splash10-01rl-9113530000-205b0d713aeb42a9afc2 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-000i-0419000000-061132d646cd5dd85a1b | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-00ks-0829000000-7da7ab59ee0d4812767b | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-0002-0933000000-3fb381ce0f3609a90222 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-0udj-0931000000-ccfdaa3226146fe9edc3 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-0udj-1940000000-ef988be204f5c54f4b21 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-0r00-1910000000-e16cc958487f06dc4287 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-0006-6900000000-a356f0334bf220eb54cc | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-052f-9700000000-66a6a217eba63b4874d1 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QIT , negative | splash10-0a4l-7900000000-aeb350579ea4a84117d0 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-000i-0619000000-dc49d3f4ab097db18f18 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0gb9-0019000000-69c64ad7b55da6a633e1 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0v4i-5598000000-0a1483f60114546ce2c7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9550000000-0ad5f1d400a5ff275f25 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00kr-0029000000-0164a507a03180713a2e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014r-2269000000-52f6b9d4ecc4e26ff1fe | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9340000000-c2e72464c072384447e0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0uxr-0019000000-bbfb0bde6a04ea9b05bc | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-3439000000-d8140c418a63ad2159a3 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ar0-9320000000-afb563cb7a2b51e02836 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0009000000-74962f74765b30de04ac | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00kr-3659000000-98607094f1fa036e16e2 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-5191000000-91a6c7d4dfff9bd70967 | View in MoNA |
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References |
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References: | Not Available |
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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