| Identification |
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| YMDB ID | YMDB01100 |
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| Name | {[(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl]oxy}phosphonic acid |
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| Species | Saccharomyces cerevisiae |
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| Strain | Baker's yeast |
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| Description | {[(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl]oxy}phosphonic acid belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. {[(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl]oxy}phosphonic acid is a very strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | - {[(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl]oxy}phosphonate
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| CAS number | Not Available |
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| Weight | Average: 425.5402
Monoisotopic: 425.290624657 |
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| InChI Key | PNIYMXIOPMSWEU-ZCNNSNEGSA-N |
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| InChI | InChI=1S/C20H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20(23)18(21)17-27-28(24,25)26/h18-20,22-23H,2-17,21H2,1H3,(H2,24,25,26)/t18-,19+,20-/m0/s1 |
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| IUPAC Name | {[(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl]oxy}phosphonic acid |
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| Traditional IUPAC Name | [(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl]oxyphosphonic acid |
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| Chemical Formula | C20H44NO6P |
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| SMILES | CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(O)(O)=O |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. |
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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 | Phosphosphingolipids |
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| Alternative Parents | |
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| Substituents | - Sphingoid-1-phosphate or derivatives
- Phosphoethanolamine
- Monoalkyl phosphate
- Alkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- 1,3-aminoalcohol
- 1,2-diol
- 1,2-aminoalcohol
- Secondary alcohol
- Organopnictogen compound
- Organic nitrogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Primary aliphatic amine
- Amine
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- 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 | | Property | Value | Reference |
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| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations | Not Available |
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| Organoleptic Properties | Not Available |
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| SMPDB Pathways | Not Available |
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| KEGG Pathways | Not Available |
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| SMPDB Reactions | Not Available |
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| KEGG Reactions | Not Available |
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| Concentrations |
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| Intracellular Concentrations | Not Available |
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| Extracellular Concentrations | Not Available |
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| Spectra |
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| Spectra | |
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| References |
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| References: | - Ejsing, C. S., Sampaio, J. L., Surendranath, V., Duchoslav, E., Ekroos, K., Klemm, R. W., Simons, K., Shevchenko, A. (2009). "Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry." Proc Natl Acad Sci U S A 106:2136-2141.19174513
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| Synthesis Reference: | Not Available |
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| External Links: | | Resource | Link |
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| CHEBI ID | 64918 | | HMDB ID | Not Available | | Pubchem Compound ID | 57339214 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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