Record Information |
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Version | 1.0 |
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Creation date | 2015-05-07 20:19:45 UTC |
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Update date | 2019-11-26 03:21:55 UTC |
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Primary ID | FDB030864 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | fructose-1-phosphate |
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Description | D-fructose 1-phosphate, also known as 1-O-phosphono-D-fructose or fructose-1-phosphate, barium salt, (D)-isomer, 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. D-fructose 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). D-fructose 1-phosphate can be found in a number of food items such as rye, ucuhuba, sugar apple, and spelt, which makes D-fructose 1-phosphate a potential biomarker for the consumption of these food products. D-fructose 1-phosphate exists in all eukaryotes, ranging from yeast to humans. |
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CAS Number | 15978-08-2 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C6H13O9P |
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IUPAC name | {[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]oxy}phosphonic acid |
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InChI Identifier | InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5-,6-/m1/s1 |
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InChI Key | ZKLLSNQJRLJIGT-UYFOZJQFSA-N |
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Isomeric SMILES | [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O |
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Average Molecular Weight | 260.1358 |
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Monoisotopic Molecular Weight | 260.029718526 |
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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 | - Octose monosaccharide
- Monosaccharide phosphate
- Glycerone phosphate
- Monoalkyl phosphate
- Sugar acid
- Acyloin
- Beta-hydroxy ketone
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Alpha-hydroxy ketone
- Ketone
- Secondary alcohol
- Polyol
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Primary alcohol
- Alcohol
- 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 | |
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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 | fructose-1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03dv-9610000000-02ca845189c71078b8f8 | Spectrum | Predicted GC-MS | fructose-1-phosphate, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-3934870000-59dd8b59f2fffa8ebdaf | Spectrum | Predicted GC-MS | fructose-1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-0a4i-0090000000-69e958a21781919936bb | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-0002-9010000000-09fb21847135e58a6be8 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 50V, Negative | splash10-0002-9010000000-9b9929ef874f5c200b1c | 2021-09-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03dl-5690000000-d7df1ad20a6b23f47261 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03kl-9710000000-7b472845d3c649263e2d | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0bu1-9200000000-3489245d9f6a9db937b1 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0690-8910000000-ee8d111ccdc936caea8e | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9200000000-21f7fc4ed7dab43e8823 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-6a6bb84df47427625197 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03dl-3690000000-73991df97ee3e0ff563f | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00dm-9600000000-beb86194e86a63f5aa98 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-913e6e460093552cee6f | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0551-9630000000-cc4ae9d3a3d5e615aeb3 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-002b-9000000000-f02c1b9a3b8134189c4d | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a5e502a2627af2048a1f | 2021-10-12 | 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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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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