Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:40:22 UTC |
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Update date | 2015-07-21 06:58:00 UTC |
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Primary ID | FDB024131 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | S-Acetyldihydrolipoamide-E |
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Description | S-Acetyldihydrolipoamide-E belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. Thus, S-acetyldihydrolipoamide-e is considered to be a fatty amide. Based on a literature review very few articles have been published on S-Acetyldihydrolipoamide-E. |
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CAS Number | Not Available |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C10H19NO2S2 |
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IUPAC name | 8-(acetylsulfanyl)-6-sulfanyloctanamide |
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InChI Identifier | InChI=1S/C10H19NO2S2/c1-8(12)15-7-6-9(14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13) |
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InChI Key | WXCOTNFMLYTGPZ-UHFFFAOYSA-N |
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Isomeric SMILES | CC(=O)SCCC(S)CCCCC(N)=O |
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Average Molecular Weight | 249.393 |
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Monoisotopic Molecular Weight | 249.085720237 |
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Classification |
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Description | Belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. |
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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 amides |
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Direct Parent | Fatty amides |
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Alternative Parents | |
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Substituents | - Fatty amide
- Carboxamide group
- Primary carboxylic acid amide
- Thiocarboxylic acid ester
- Carbothioic s-ester
- Sulfenyl compound
- Thiocarboxylic acid or derivatives
- Alkylthiol
- Carboxylic acid derivative
- Carbonyl group
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen 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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Disposition | Route of exposure: Biological location: Source: |
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Process | Naturally occurring process: |
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Role | Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | S-Acetyldihydrolipoamide-E, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-9520000000-69d3dd2c0fb35a09a40e | Spectrum | Predicted GC-MS | S-Acetyldihydrolipoamide-E, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | S-Acetyldihydrolipoamide-E, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0l3r-2390000000-505da9922f406629961e | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05cr-3970000000-cc3ec97184b82e801947 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0kk9-9400000000-5a4de4b7148728d86afb | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-074j-1490000000-752a8225d9d8c0f7b015 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-006x-9780000000-18b1e21830fcd3117bfd | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-bc1ab1e0a03f30f870d7 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0gb9-0490000000-2e23dadf862c86f5506a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-5960000000-c4503c60da932f377034 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9200000000-4c9e81472727ea87088b | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0090000000-3f52d189c9f520524a28 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9560000000-fe21c84846a737aa792b | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-9000000000-cf0fb5bec2c2b1c037bf | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 21865772 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C16255 |
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Pubchem Compound ID | 24906332 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB06878 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | |
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Pathways | |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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