Record Information |
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Version | 1.0 |
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Creation date | 2015-10-09 22:30:08 UTC |
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Update date | 2017-01-19 02:36:20 UTC |
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FoodComEx ID | PC000353 |
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FoodDB Record | FDB021911 |
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Chemical Information |
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Name | O-Phosphoethanolamine |
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Description | O-Phosphoethanolamine, also known as colamine phosphoric acid or ethanolamine O-phosphate, belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. O-Phosphoethanolamine is a very strong basic compound (based on its pKa). O-Phosphoethanolamine exists in all living species, ranging from bacteria to humans. Within humans, O-phosphoethanolamine participates in a number of enzymatic reactions. In particular, O-phosphoethanolamine and palmitaldehyde can be biosynthesized from sphinganine 1-phosphate; which is catalyzed by the enzyme sphingosine-1-phosphate lyase 1. In addition, O-phosphoethanolamine and palmitaldehyde can be biosynthesized from sphingosine 1-phosphate; which is catalyzed by the enzyme sphingosine-1-phosphate lyase 1. In humans, O-phosphoethanolamine is involved in globoid cell leukodystrophy. Outside of the human body, O-Phosphoethanolamine has been detected, but not quantified in, several different foods, such as lambsquarters, nutmegs, yellow wax beans, dandelions, and cloud ear fungus. This could make O-phosphoethanolamine a potential biomarker for the consumption of these foods. The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. O-Phosphoethanolamine is a potentially toxic compound. |
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CAS Number | 1071-23-4 |
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Structure | |
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Synonyms | Synonym | Source |
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2-amino-Ethanol ate | ChEBI | 2-amino-Ethanol dihydrogen ate | ChEBI | 2-amino-Ethanol dihydrogen ate (ester) | HMDB | 2-amino-Ethanol dihydrogen ic acid | Generator | 2-amino-Ethanol dihydrogen phosphate | hmdb | 2-amino-Ethanol dihydrogen phosphate (ester) | hmdb | 2-amino-Ethanol ic acid | Generator | 2-amino-Ethanol phosphate | hmdb | 2-Aminoethanol O-ate | HMDB | 2-Aminoethanol O-phosphate | hmdb | 2-Aminoethyl ate | HMDB | 2-Aminoethyl dihydrogen ate | HMDB | 2-Aminoethyl dihydrogen ate (acd/name 4.0) | HMDB | 2-aminoethyl dihydrogen phosphate | hmdb | 2-aminoethyl dihydrogen phosphate (ACD/Name 4.0) | hmdb | 2-aminoethyl phosphate | hmdb | Colaminate | Generator | Colamine acid ate | HMDB | Colamine acid phosphate | hmdb | Colamine ate | ChEBI | Colamine ic acid | Generator | Colamine orate | Generator | Colamine oric acid | ChEBI | Colamine phosphate | hmdb | Colamine phosphoric acid | hmdb | Colamineoric acid | HMDB | Colaminephosphoric acid | hmdb | Colaminic acid | Generator | Colaminoric acid | ChEBI | Colaminphosphoric acid | hmdb | EAP | hmdb | Ethamp | HMDB | Ethanolamine acid ate | ChEBI | Ethanolamine acid ic acid | Generator | Ethanolamine acid phosphate | hmdb | Ethanolamine ate | ChEBI | Ethanolamine ic acid | Generator | Ethanolamine O-ate | ChEBI | Ethanolamine O-ic acid | Generator | Ethanolamine O-phosphate | hmdb | Ethanolamine phosphate | hmdb | Mono(2-aminoethyl) ate | ChEBI | Mono(2-aminoethyl) ic acid | Generator | Mono(2-aminoethyl) phosphate | hmdb | Monoaminoethyl ate | ChEBI | Monoaminoethyl ic acid | Generator | Monoaminoethyl phosphate | hmdb | O-Ocolamine | ChEBI | O-Oethanolamine | ChEBI | O-Onatoethanaminium | HMDB | O-Orylethanolamine | ChEBI | O-phosphocolamine | hmdb | O-Phosphoethanolamine | hmdb | O-phosphorylethanolamine | hmdb | Oethanolamine | ChEBI | Onoethanolamine | ChEBI | OPE | hmdb | Orate 2-aminoethyl phenyl ester | Generator | oric acid 2-Aminoethyl phenyl ester | ChEBI | Oryethanolamine | HMDB | Oryl-ethanolamine | ChEBI | Orylethanolamine | HMDB | PE | ChEBI | PETN | hmdb | Phosphoethanolamine | hmdb | Phosphonoethanolamine | hmdb | Phosphoric acid 2-aminoethyl phenyl ester | hmdb | Phosphoryethanolamine | hmdb | Phosphorylethanolamine | hmdb |
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Chemical Formula | C2H8NO4P |
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IUPAC name | (2-aminoethoxy)phosphonic acid |
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InChI Identifier | InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) |
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InChI Key | SUHOOTKUPISOBE-UHFFFAOYSA-N |
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Isomeric SMILES | NCCOP(O)(O)=O |
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Average Molecular Weight | 141.063 |
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Monoisotopic Molecular Weight | 141.019094261 |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Organic phosphoric acids and derivatives |
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Sub Class | Phosphate esters |
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Direct Parent | Phosphoethanolamines |
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Alternative Parents | |
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Substituents | - Phosphoethanolamine
- Monoalkyl phosphate
- Alkyl phosphate
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physico-Chemical Properties - Experimental |
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Property | Value | Reference |
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Experimental logP | Not Available | |
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Experimental Water Solubility | Not Available | |
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Melting Point | Not Available | |
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Foods of Origin |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Production Data |
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Production Method | commercial |
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Production Method Reference | Not Available |
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Production Method Reference File | Not Available |
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Quantity Available | Production upon request, up to 1 g |
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Delivery Time | Not Available |
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Storage Form | solid |
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Storage Conditions | -80°C |
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Stability | Not Available |
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Purity | Not Available |
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Spectra |
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Spectral Data Upon Request | Not Available |
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Provider Information |
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Commercial Vendors |
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AKSci | 8967AJ |
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MetaSci | HMDB0000224 |
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Sigma-Aldrich | HMDB0000224 |
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Toronto Research Chemicals | P360900 |
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