Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:10:48 UTC |
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Update date | 2015-07-21 06:57:05 UTC |
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Primary ID | FDB022245 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | N-Palmitoylsphingosine |
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Description | N-Palmitoylsphingosine belongs to the class of organic compounds known as ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid. Based on a literature review a significant number of articles have been published on N-Palmitoylsphingosine. |
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CAS Number | 24696-26-2 |
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Structure | |
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Synonyms | Synonym | Source |
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[R-[R*,S*-(E)]]-N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-Hexadecanamide | hmdb | D-erythro-C16-Ceramide | hmdb | D-erythro-D4-Ceramide | hmdb | N-Palmitoyl 4-sphingenine | hmdb | N-Palmitoyl-D-sphingosine | hmdb | N-Palmitoylsphingosine | hmdb |
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Predicted Properties | |
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Chemical Formula | C34H67NO3 |
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IUPAC name | N-(1,3-dihydroxyoctadec-4-en-2-yl)hexadecanamide |
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InChI Identifier | InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38) |
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InChI Key | YDNKGFDKKRUKPY-UHFFFAOYSA-N |
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Isomeric SMILES | CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC |
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Average Molecular Weight | 537.9007 |
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Monoisotopic Molecular Weight | 537.512095015 |
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Classification |
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Description | Belongs to the class of organic compounds known as ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Sphingolipids |
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Sub Class | Ceramides |
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Direct Parent | Ceramides |
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Alternative Parents | |
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Substituents | - Ceramide
- Fatty amide
- N-acyl-amine
- Fatty acyl
- Carboxamide group
- Secondary alcohol
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Alcohol
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- 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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Physiological effect | Health effect: Organoleptic effect: |
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Disposition | Route of exposure: 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 - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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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 | N-Palmitoylsphingosine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0300-4214179000-7ee0697a6268203e693f | 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 | splash10-000i-0000090000-f294f0ced8f149249815 | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01p9-0050090000-80f4b14827e42ec58fea | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03l0-0090050000-c9f32bf831226119babd | 2017-10-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0000090000-876883608819d763f04e | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01p9-0050090000-22ff2434faf08fcef599 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03l0-0090050000-e6a7f6704ac5e854065c | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000090000-d2d11b266d3c5c7e73ff | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000090000-d2d11b266d3c5c7e73ff | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-0000190000-6ce0a8c6d5140383d837 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0000090000-15b6716e7356e06043b6 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0010090000-e14e9c0c2e28b7a12b19 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ue0-0040090000-a44d6a95bf21d0975da6 | 2021-10-12 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 4510097 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 5353456 |
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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 | HMDB00790 |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Name | Gene Name | UniProt ID |
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Acid ceramidase | ASAH1 | Q13510 | Putative neutral ceramidase C | ASAH2C | P0C7U2 | Alkaline ceramidase 2 | ACER2 | Q5QJU3 | Neutral ceramidase | ASAH2 | Q9NR71 | Alkaline ceramidase 1 | ACER1 | Q8TDN7 | Phosphatidylcholine:ceramide cholinephosphotransferase 2 | SGMS2 | Q8NHU3 | Phosphatidylcholine:ceramide cholinephosphotransferase 1 | SGMS1 | Q86VZ5 | Ganglioside GM2 activator | GM2A | P17900 | Sphingosine-1-phosphate lyase 1 | SGPL1 | O95470 | N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase | PIGL | Q9Y2B2 | Sphingomyelin phosphodiesterase | SMPD1 | P17405 | Ceramide glucosyltransferase | UGCG | Q16739 | Phosphatidylinositol N-acetylglucosaminyltransferase subunit Q | PIGQ | Q9BRB3 | Phosphatidylinositol N-acetylglucosaminyltransferase subunit A | PIGA | P37287 | Phosphatidylinositol N-acetylglucosaminyltransferase subunit H | PIGH | Q14442 | Phosphatidylinositol N-acetylglucosaminyltransferase subunit P | PIGP | P57054 | Phosphatidylinositol N-acetylglucosaminyltransferase subunit C | PIGC | Q92535 | 2-hydroxyacylsphingosine 1-beta-galactosyltransferase | UGT8 | Q16880 | Collagen type IV alpha-3-binding protein | COL4A3BP | Q9Y5P4 | T-cell surface glycoprotein CD1e, membrane-associated | CD1E | P15812 | Epididymal secretory protein E1 | NPC2 | P61916 | Ceramide synthase 1 | CERS1 | P27544 | Antigen-presenting glycoprotein CD1d | CD1D | P15813 | GPI mannosyltransferase 1 | PIGM | Q9H3S5 | Phosphatidylinositol-glycan biosynthesis class W protein | PIGW | Q7Z7B1 | Phosphatidylinositol-glycan biosynthesis class X protein | PIGX | Q8TBF5 | GPI mannosyltransferase 4 | PIGZ | Q86VD9 | Lactosylceramide 1,3-N-acetyl-beta-D-glucosaminyltransferase | B3GNT5 | Q9BYG0 | Beta-1,3-galactosyltransferase 5 | B3GALT5 | Q9Y2C3 | GPI mannosyltransferase 3 | PIGB | Q92521 | Phosphatidylinositol-glycan biosynthesis class F protein | PIGF | Q07326 | GPI ethanolamine phosphate transferase 2 | PIGG | Q5H8A4 | GPI ethanolamine phosphate transferase 1 | PIGN | O95427 | GPI ethanolamine phosphate transferase 3 | PIGO | Q8TEQ8 | GPI transamidase component PIG-S | PIGS | Q96S52 | GPI transamidase component PIG-T | PIGT | Q969N2 | Phosphatidylinositol glycan anchor biosynthesis class U protein | PIGU | Q9H490 | GPI mannosyltransferase 2 | PIGV | Q9NUD9 | Phosphatidylinositol N-acetylglucosaminyltransferase subunit Y | PIGY | Q3MUY2 | Non-lysosomal glucosylceramidase | GBA2 | Q9HCG7 | Protein FAN | NSMAF | Q92636 | GPI-anchor transamidase | PIGK | Q92643 |
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Pathways | Not Available |
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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 | show |
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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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