Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:39:12 UTC |
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Update date | 2015-07-21 06:57:59 UTC |
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Primary ID | FDB024056 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Dihydroceramide |
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Description | Dihydroceramide, also known as N-acylsphinganine, belongs to the class of organic compounds known as secondary carboxylic acid amides. Secondary carboxylic acid amides are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl). Dihydroceramide is an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydroceramide exists in all eukaryotes, ranging from yeast to humans. |
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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 | C19H39NO3 |
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IUPAC name | N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide |
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InChI Identifier | InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-21)20-17-22/h17-19,21,23H,2-16H2,1H3,(H,20,22)/t18-,19+/m0/s1 |
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InChI Key | XSDVOEIEBUGRQX-RBUKOAKNSA-N |
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Isomeric SMILES | CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC=O |
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Average Molecular Weight | 329.5179 |
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Monoisotopic Molecular Weight | 329.292994119 |
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Classification |
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Description | Belongs to the class of organic compounds known as secondary carboxylic acid amides. Secondary carboxylic acid amides are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl). |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Carboxylic acid derivatives |
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Direct Parent | Secondary carboxylic acid amides |
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Alternative Parents | |
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Substituents | - Secondary carboxylic acid amide
- Secondary alcohol
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: 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 | Dihydroceramide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000l-9761000000-49c3e7ef71f565d78a20 | Spectrum | Predicted GC-MS | Dihydroceramide, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-2490200000-ce76ab5497791fd51fe6 | Spectrum | Predicted GC-MS | Dihydroceramide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Dihydroceramide, 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 | splash10-0il0-0049000000-5dfda3f1388f3abf30f8 | 2016-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03ec-5396000000-450d57020d5338301d11 | 2016-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0007-4970000000-e72e84aaddbd263f496c | 2016-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-2059000000-0a230b14683a27fa8d7b | 2016-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01r7-9074000000-7b5c74746bfdd2286b68 | 2016-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002f-9010000000-dbf19cabd1b95226fa8d | 2016-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0009000000-9df513b3b35b71e70579 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00lr-0059000000-57e37cdd69b1cdd2833b | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-02u0-0094000000-e3d26a0a236ec35d2a65 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0009000000-ba73a2cbcbb544cfeda7 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0019000000-2e93209c7f8eb50ded10 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002b-1096000000-3456b2e34beb0df0f515 | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 21436314 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C12126 |
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Pubchem Compound ID | 16755624 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 31488 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB06752 |
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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 | 2263543 |
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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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