Record Information |
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Version | 2.0 |
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Creation Date | 2015-09-08 17:48:30 -0600 |
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Update Date | 2015-09-08 17:48:30 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | L-Acetylcarnitine |
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Description | |
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Structure | |
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Synonyms: | Value | Source |
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(-)-Acetylcarnitine | ChEBI | (R)-Acetylcarnitine | ChEBI | Acetyl-L-(-)-carnitine | ChEBI | Acetyl-L-carnitine | ChEBI | L-Carnitine acetyl ester | ChEBI | L-O-Acetylcarnitine | ChEBI | O-Acetyl-(R)-carnitine | ChEBI | R-Acetylcarnitine | ChEBI | Branigen | HMDB | Levocarnitine acetyl | HMDB | Acetyl carnitine | HMDB | Carnitine, acetyl | HMDB | Alcar | HMDB | Acetyl L carnitine | HMDB | Acetylcarnitine, (R)-isomer | HMDB | Medosan | HMDB | ALC | HMDB | 3-(Acetyloxy)-4-(trimethylammonio)butanoate | HMDB | Acetyl-DL-carnitine | HMDB | Acetylcarnitine | HMDB | DL-O-Acetylcarnitine | HMDB | 3-(Acetyloxy)-4-(trimethylammonio)butanoic acid | HMDB | (+-)-Acetylcarnitine | HMDB | Acetyl-carnitine | HMDB | Nicetile | HMDB | O-Acetyl-L-carnitine | HMDB | O-Acetylcarnitine | HMDB | (3R)-3-Acetyloxy-4-(trimethylazaniumyl)butanoate | HMDB | C2 Carnitine | HMDB | L-Acetylcarnitine | ChEBI |
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Chemical Formula: | C9H17NO4 |
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Weight: | Average: 203.2356 Monoisotopic: 203.115758037 |
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InChI Key: | RDHQFKQIGNGIED-UHFFFAOYSA-N |
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InChI: | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 |
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CAS number: | Not Available |
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IUPAC Name: | (3R)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate |
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Traditional IUPAC Name: | acetyl-L-carnitine |
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SMILES: | CC(=O)OC(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-9100000000-c3bf4495e8c4abf714db | 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 (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, N/A (Annotated) | splash10-000i-9200000000-e3a84538f1dadc72bc00 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated) | splash10-000i-9000000000-5d5d6858632925cf1c81 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated) | splash10-001i-9000000000-b7dbd311ea9af892ad91 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-0pb9-3930000000-1af0468e51346890699f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0090000000-71230651236adb31fa6f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-9050000000-2a63f200e23202870ebe | 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 | 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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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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