Record Information |
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Version | 2.0 |
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Creation Date | 2015-09-08 17:48:31 -0600 |
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Update Date | 2015-09-08 17:48:31 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | L-Palmitoylcarnitine |
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Description | |
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Structure | |
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Synonyms: | Value | Source |
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(3R)-3-(Hexadecanoyloxy)-4-(trimethylazaniumyl)butanoate | ChEBI | (3R)-3-Palmitoyloxy-4-(trimethylammonio)butanoate | ChEBI | Hexadecanoyl-L-carnitine | ChEBI | Hexadecanoylcarnitine | ChEBI | Hexadecenoyl carnitine | ChEBI | L-Carnitine palmitoyl ester | ChEBI | O-Hexadecanoyl-(R)-carnitine | ChEBI | O-Hexadecanoyl-R-carnitine | ChEBI | Palmitoyl-L-carnitine | ChEBI | Palmitoylcarnitine | ChEBI | (3R)-3-(Hexadecanoyloxy)-4-(trimethylazaniumyl)butanoic acid | Generator | (3R)-3-Palmitoyloxy-4-(trimethylammonio)butanoic acid | Generator | (+)-Palmitoylcarnitine | HMDB | 3-Carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-1-propanaminium | HMDB | L(-)-Palmitylcarnitine | HMDB | L-Palmitoyl-L-carnitine | HMDB | Palmitoyl-(-)-carnitine | HMDB | Palmityl-L-carnitine | HMDB | Palmitylcarnitine | HMDB | (2R)-Palmitoylcarnitine | HMDB | C16 Carnitine | HMDB | L-Palmitoylcarnitine | HMDB |
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Chemical Formula: | C23H45NO4 |
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Weight: | Average: 399.6077 Monoisotopic: 399.334858933 |
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InChI Key: | XOMRRQXKHMYMOC-OAQYLSRUSA-N |
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InChI: | InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1 |
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CAS number: | Not Available |
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IUPAC Name: | (3R)-3-(hexadecanoyloxy)-4-(trimethylazaniumyl)butanoate |
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Traditional IUPAC Name: | palmitoylcarnitine |
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SMILES: | CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. |
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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 acid esters |
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Direct Parent | Acyl carnitines |
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Alternative Parents | |
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Substituents | - Acyl-carnitine
- Dicarboxylic acid or derivatives
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid salt
- Carboxylic acid derivative
- Carboxylic acid
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- 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: | 0 |
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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: | Cytoplasm |
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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 | splash10-00di-9220000000-890219021b84f6894540 | 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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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-0udi-1000900000-109f35c9819eb5eed7b7 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-000i-9000000000-9d6bb14eddb4cfa8341a | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-000i-9000000000-87b1d0debe4e0cb7bd31 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , negative | splash10-014i-0139500000-21c36c851939b94d4523 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , negative | splash10-014i-0029600000-69ebe292c2ce42c8d810 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0f6x-0139600000-197944fd1aa4ac44bdd2 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0uxr-0000613900-006582b143e5906e51cc | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0uxr-0000614900-14a5d773f652b71671fb | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0f6x-0139600000-b0528be9c13e412551af | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000900000-b54b0a7f2164f15f15f2 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-9000500000-d7434e08a3e0942fa2e9 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-9000000000-e9262cbaff8cb4ad0ba6 | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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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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