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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:27:00 UTC |
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Update Date | 2020-06-04 20:35:20 UTC |
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BMDB ID | BMDB0000224 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | O-Phosphoethanolamine |
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Description | O-Phosphoethanolamine, also known as colamine phosphoric acid or ethanolamine 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 exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. O-Phosphoethanolamine exists in all living species, ranging from bacteria to humans. O-Phosphoethanolamine is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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2-Amino-ethanol dihydrogen phosphate | ChEBI | 2-Amino-ethanol phosphate | ChEBI | Colamine phosphate | ChEBI | Colamine phosphoric acid | ChEBI | Colaminphosphoric acid | ChEBI | EAP | ChEBI | Ethanolamine acid phosphate | ChEBI | Ethanolamine O-phosphate | ChEBI | Ethanolamine phosphate | ChEBI | mono(2-Aminoethyl) phosphate | ChEBI | Monoaminoethyl phosphate | ChEBI | O-Phosphocolamine | ChEBI | O-Phosphorylethanolamine | ChEBI | OPE | ChEBI | PE | ChEBI | PEA | ChEBI | PETN | ChEBI | Phosphoethanolamine | ChEBI | Phosphoric acid 2-aminoethyl phenyl ester | ChEBI | Phosphoryl-ethanolamine | ChEBI | 2-Amino-ethanol dihydrogen phosphoric acid | Generator | 2-Amino-ethanol phosphoric acid | Generator | Colaminphosphate | Generator | Ethanolamine acid phosphoric acid | Generator | Ethanolamine O-phosphoric acid | Generator | Ethanolamine phosphoric acid | Generator | mono(2-Aminoethyl) phosphoric acid | Generator | Monoaminoethyl phosphoric acid | Generator | Phosphate 2-aminoethyl phenyl ester | Generator | Phosphonoethanolamine | HMDB | 2-Amino-ethanol dihydrogen phosphate (ester) | HMDB | 2-Aminoethanol O-phosphate | HMDB | 2-Aminoethyl dihydrogen phosphate | HMDB | 2-Aminoethyl dihydrogen phosphate (acd/name 4.0) | HMDB | 2-Aminoethyl phosphate | HMDB | Colamine acid phosphate | HMDB | Colaminephosphoric acid | HMDB | Ethamp | HMDB | O-Phosphonatoethanaminium | HMDB | Phosphoryethanolamine | HMDB | Phosphorylethanolamine | HMDB | Phosphorylethanolamine, 3H-labeled CPD | HMDB | Phosphorylethanolamine magnesium (1:1) salt | HMDB | Phosphorylethanolamine zinc salt | HMDB | Phosphorylethanolamine, cobalt (2+) (1:1) salt | HMDB | Calcium 2-aminoethanol phosphate | HMDB | Phosphorylethanolamine ca (1:1) salt | HMDB |
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Chemical Formula | C2H8NO4P |
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Average Molecular Weight | 141.063 |
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Monoisotopic Molecular Weight | 141.019094261 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 1071-23-4 |
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SMILES | Not Available |
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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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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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Ontology |
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Status | Detected and Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | - Cytoplasm
- Endoplasmic reticulum
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 241 - 243 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 72 mg/mL | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | - Cytoplasm
- Endoplasmic reticulum
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Biospecimen Locations | - Liver
- Mammary Gland
- Milk
- Placenta
- Testis
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Pathways | |
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Normal Concentrations |
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Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Testis | Detected and Quantified | 6934 +/- 1186 nmol/g of tissue | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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| Not Available |
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External Links |
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HMDB ID | HMDB0000224 |
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DrugBank ID | DB01738 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB031115 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 990 |
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KEGG Compound ID | C00346 |
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BioCyc ID | PHOSPHORYL-ETHANOLAMINE |
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BiGG ID | 1485304 |
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Wikipedia Link | Phosphorylethanolamine |
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METLIN ID | 5233 |
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PubChem Compound | 1015 |
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PDB ID | Not Available |
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ChEBI ID | 17553 |
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References |
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Synthesis Reference | Muller K; Schulz J; Oemus R Phosphoethanolamine--a substrate of alkaline phosphatase isolated from rat calvaria. Biomedica biochimica acta (1989), 48(8), 495-504. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. [PubMed:23438684 ]
- Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. [PubMed:28306241 ]
- Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. [PubMed:29291809 ]
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