Record Information |
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Version | 1.0 |
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Creation date | 2015-05-07 19:13:04 UTC |
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Update date | 2019-11-26 03:21:44 UTC |
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Primary ID | FDB030419 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 3-deoxy-D-arabino-heptulosonate-7-phosphate |
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Description | 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate, also known as 2-dahp or 3-deoxy-arabino-heptulonic acid 7-phosphoric acid, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate can be found in a number of food items such as prairie turnip, horned melon, bilberry, and biscuit, which makes 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate a potential biomarker for the consumption of these food products. 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate exists in E.coli (prokaryote) and yeast (eukaryote). |
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CAS Number | 2627-73-8 |
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Structure | |
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Synonyms | Synonym | Source |
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2-Dahp | ChEBI | 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate | ChEBI | 3-Deoxy-arabino-heptulonate 7-phosphate | ChEBI | 3-Deoxy-D-arabino-2-heptulosonic acid 7-(dihydrogen phosphate) | ChEBI | 3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate | ChEBI | 3-Deoxy-D-arabino-heptulosonate-7-phosphate | ChEBI | 3-Deoxy-D-arabino-heptulosonic acid 7-phosphate | ChEBI | DAHP | ChEBI | 2-Dehydro-3-deoxy-D-arabino-heptonic acid 7-phosphoric acid | Generator | 3-Deoxy-arabino-heptulonic acid 7-phosphoric acid | Generator | 3-Deoxy-D-arabino-2-heptulosonate 7-(dihydrogen phosphate) | Generator | 3-Deoxy-D-arabino-2-heptulosonic acid 7-(dihydrogen phosphoric acid) | Generator | 3-Deoxy-D-arabino-hept-2-ulosonic acid 7-phosphoric acid | Generator | 3-Deoxy-D-arabino-heptulosonic acid-7-phosphoric acid | Generator | 3-Deoxy-D-arabino-heptulosonate 7-phosphate | Generator | 3-Deoxy-D-arabino-heptulosonic acid 7-phosphoric acid | Generator | 7-Phospho-2-dehydro-3-deoxy-D-arabino-heptonate | Generator | 2-Dehydro-3-deoxy-D-arabino-heptulosonic acid-7-phosphate | MeSH | 3-Deoxy-D-arabino-2-heptulosonic acid | MeSH | 3-Deoxyarabinoheptulosonate-7-phosphate | MeSH | 7-Phospho-2-keto-3-deoxy-D-arabinoheptonate | MeSH |
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Predicted Properties | |
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Chemical Formula | C7H13O10P |
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IUPAC name | (4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-(phosphonooxy)heptanoic acid |
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InChI Identifier | InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1 |
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InChI Key | PJWIPEXIFFQAQZ-PUFIMZNGSA-N |
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Isomeric SMILES | O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)CC(=O)C(O)=O |
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Average Molecular Weight | 288.1459 |
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Monoisotopic Molecular Weight | 288.024633148 |
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Classification |
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Description | Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Monosaccharide phosphates |
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Alternative Parents | |
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Substituents | - Heptose monosaccharide
- Monosaccharide phosphate
- Medium-chain keto acid
- Monoalkyl phosphate
- Sugar acid
- Alpha-keto acid
- Alkyl phosphate
- Beta-hydroxy ketone
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Keto acid
- Alpha-hydroxy ketone
- Secondary alcohol
- Ketone
- Polyol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Alcohol
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- 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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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 3-deoxy-D-arabino-heptulosonate-7-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-006w-6920000000-01ac7cd5df7cb6d11ab7 | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00du-1490000000-b500894b2362a345803f | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-5930000000-a9d3893a2dec466630ee | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00xr-9700000000-3199033968d25ee1d235 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002k-6940000000-98d2442ffe3031d309f1 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9200000000-37861b420da4e96055ac | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-0ba308fea596aa1da1c2 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-007c-1590000000-5032f9123dae327ae7fd | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0fr2-9700000000-7ee2c3c29df5d7c3c466 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9100000000-5648242eb0703edfc1a4 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00kr-2090000000-303f8ce9daad2d0d8370 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9300000000-b3e39bf1c93cf778ae7c | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004j-9000000000-5c6f9eb036b780095d5a | 2021-10-21 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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