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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:27:35 UTC |
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Update Date | 2020-05-21 16:28:28 UTC |
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BMDB ID | BMDB0000263 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Phosphoenolpyruvic acid |
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Description | Phosphoenolpyruvic acid, also known as PEP or 2-phosphonooxyprop-2-enoate, belongs to the class of organic compounds known as phosphate esters. These are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group. Phosphoenolpyruvic acid is possibly soluble (in water) and an extremely strong acidic compound (based on its pKa). Phosphoenolpyruvic acid exists in all living species, ranging from bacteria to humans. |
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Structure | |
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Synonyms | Value | Source |
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2-(Phosphonooxy)-2-propenoic acid | ChEBI | 2-PHOSPHOENOLPYRUVIC ACID | ChEBI | PEP | ChEBI | PHOSPHOENOLPYRUVATE | ChEBI | 2-(Phosphonooxy)-2-propenoate | Generator | 2-PHOSPHOENOLPYRUVate | Generator | 2-Hydroxy-acrylic acid dihydrogen phosphate | HMDB | 2-Phosphonooxyprop-2-enoate | HMDB | 2-Phosphonooxyprop-2-enoic acid | HMDB | p-enol-Pyruvate | HMDB | PEP (phosphate) | HMDB | Phosphoenolpyruvic acid | HMDB |
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Chemical Formula | C3H5O6P |
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Average Molecular Weight | 168.042 |
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Monoisotopic Molecular Weight | 167.982374404 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 138-08-9 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) |
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InChI Key | DTBNBXWJWCWCIK-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as phosphate esters. These are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group. |
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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 | Phosphate esters |
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Alternative Parents | |
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Substituents | - Phosphoric acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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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 | 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 | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | - Liver
- Milk
- Placenta
- Prostate Tissue
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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 | 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 | Prostate Tissue | Expected but not Quantified | Not Quantified | 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 | HMDB0000263 |
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DrugBank ID | DB01819 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB031112 |
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KNApSAcK ID | C00000798 |
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Chemspider ID | 980 |
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KEGG Compound ID | C00074 |
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BioCyc ID | PHOSPHO-ENOL-PYRUVATE |
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BiGG ID | Not Available |
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Wikipedia Link | Phosphoenolpyruvic_acid |
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METLIN ID | Not Available |
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PubChem Compound | 1005 |
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PDB ID | Not Available |
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ChEBI ID | 44897 |
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References |
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Synthesis Reference | Simon, Ethan S.; Grabowski, Sven; Whitesides, George M. Preparation of phosphoenolpyruvate from D-(-)-3-phosphoglyceric acid for use in regeneration of ATP. Journal of the American Chemical Society (1989), 111(24), 8920-1. |
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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 ]
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