| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-07-13 19:50:43 UTC |
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| Update Date | 2016-07-20 21:01:29 UTC |
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| Lmdb | LMDB00477 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | LysoSM(d18:1) |
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| Description | LysoSM(d18:1), also known as lysosphingomyelin, belongs to the class of organic compounds known as sphingosylphosphorylcholines. These are sphingolipids containing a sphingosine attached to the phosphate group of a phosphocholine. Based on a literature review very few articles have been published on LysoSM(d18:1). |
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| Structure | |
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| Synonyms | | Value | Source |
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| Sphing-4-enine-1-phosphocholine | ChEBI | | Sphingosyl-phosphocholine | ChEBI | | Sphingosylphosphocholine | ChEBI | | Lysosphingomyelin | MeSH | | Sphingosine phosphorylcholine | MeSH | | C18-Sphingosine phosphocholine | HMDB | | D-erythro-Sphingosylphosphorylcholine | HMDB | | SM(D18:1/0:0) | HMDB | | Sphingenyl-1-phosphorylcholine | HMDB | | Sphingomyelin(D18:1/0:0) | HMDB | | Sphingosylphosphorylcholine | MeSH, HMDB |
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| Chemical Formula | C23H50N2O5P |
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| Average Molecular Weight | 465.6273 |
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| Monoisotopic Molecular Weight | 465.345734232 |
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| IUPAC Name | {[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid |
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| Traditional Name | lysosphingomyelin |
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| CAS Registry Number | 1670-26-4 |
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| SMILES | CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C |
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| InChI Identifier | InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1 |
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| InChI Key | JLVSPVFPBBFMBE-HXSWCURESA-O |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sphingosylphosphorylcholines. These are sphingolipids containing a sphingosine attached to the phosphate group of a phosphocholine. |
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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 | Phosphosphingolipids |
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| Direct Parent | Sphingosylphosphorylcholines |
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| Alternative Parents | |
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| Substituents | - Sphingosylphosphorylcholine
- Phosphocholine
- Phosphoethanolamine
- Dialkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Secondary alcohol
- Alcohol
- Amine
- Organic salt
- Hydrocarbon derivative
- Primary amine
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Primary aliphatic amine
- Organic cation
- 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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| Status | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00ej-9782140000-24f3d9fcbb4a3475e571 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014j-0104900000-a7aeccafba8588e15456 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001r-0900200000-b7b9a408b9290c492481 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-9800000000-f089839fe08ca8c6e6f6 | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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