Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 01:39:25 UTC |
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Update date | 2020-09-17 15:39:30 UTC |
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Primary ID | FDB028414 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | D-Arabinose 5-phosphate |
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Description | D-Arabinose 5-phosphate, also known as arabinose-5-p or 5-O-phosphono-D-arabinose, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. D-Arabinose 5-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Arabinose 5-phosphate exists in all living organisms, ranging from bacteria to humans. Outside of the human body, D-Arabinose 5-phosphate has been detected, but not quantified in, several different foods, such as arrowhead, japanese persimmons, common hazelnuts, broad beans, and cloudberries. This could make D-arabinose 5-phosphate a potential biomarker for the consumption of these foods. The 5-phospho derivative of D-arabinose. |
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CAS Number | 13137-52-5 |
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Structure | |
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Synonyms | Synonym | Source |
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5-O-Phosphono-D-arabinose | ChEBI | D-a-5-p | ChEBI | D-Arabinose 5-phosphoric acid | Generator | Arabinose-5-P | HMDB | Arabinose-5P | HMDB | Arabinose 5-phosphate, di-li salt | MeSH, HMDB | Arabinose 5-phosphate | MeSH, HMDB | Arabinose 5-phosphate, (beta-D)-isomer | MeSH, HMDB | 5-O-ONO-D-Arabinose | ChEBI | arabinose-5-P | hmdb | arabinose-5P | hmdb | D-a-5-P | ChEBI | D-Arabinose 5-ate | ChEBI | D-Arabinose 5-ic acid | Generator | D-Arabinose 5-phosphate | hmdb |
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Predicted Properties | |
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Chemical Formula | C5H11O8P |
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IUPAC name | {[(2R,3R,4S)-2,3,4-trihydroxy-5-oxopentyl]oxy}phosphonic acid |
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InChI Identifier | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1 |
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InChI Key | PPQRONHOSHZGFQ-WDCZJNDASA-N |
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Isomeric SMILES | O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C=O |
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Average Molecular Weight | 230.1098 |
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Monoisotopic Molecular Weight | 230.01915384 |
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Classification |
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Description | Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
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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 | Pentose phosphates |
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Alternative Parents | |
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Substituents | - Pentose phosphate
- Monosaccharide phosphate
- Monoalkyl phosphate
- Beta-hydroxy aldehyde
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Alpha-hydroxyaldehyde
- Secondary alcohol
- Polyol
- Hydrocarbon derivative
- Aldehyde
- Organic oxide
- Carbonyl group
- 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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Disposition | Route of exposure: Biological location: Source: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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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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GC-MS | D-Arabinose 5-phosphate, non-derivatized, GC-MS Spectrum | splash10-014j-0954000000-13c360ef6d50c290ff75 | Spectrum | GC-MS | D-Arabinose 5-phosphate, non-derivatized, GC-MS Spectrum | splash10-014j-1954000000-66deca60c06849233c1e | Spectrum | GC-MS | D-Arabinose 5-phosphate, non-derivatized, GC-MS Spectrum | splash10-014j-0954000000-13c360ef6d50c290ff75 | Spectrum | GC-MS | D-Arabinose 5-phosphate, non-derivatized, GC-MS Spectrum | splash10-014j-1954000000-66deca60c06849233c1e | Spectrum | Predicted GC-MS | D-Arabinose 5-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9100000000-b771da2f9bcb85359615 | Spectrum | Predicted GC-MS | D-Arabinose 5-phosphate, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01c0-2934100000-c0832bdf2f33a1c2e0ae | Spectrum | Predicted GC-MS | D-Arabinose 5-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | D-Arabinose 5-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 | splash10-004i-1090000000-31e1af2994eda21a1bc4 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-0002-9100000000-2045507193c154fa6155 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-002b-9000000000-ea919a44fa730a6b30ac | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-004i-9000000000-585f803ae9cdd8a87b5b | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-004i-9000000000-39ddb0bbc9b7b081c7fd | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , negative | splash10-002b-9000000000-f3fe9e7cc40f16c3578e | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01q9-3690000000-06b766b00394897d8276 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0btd-9710000000-6f93a4202efb7ba3d3fd | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9200000000-a324e9f10ad080e0ea34 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002r-9520000000-e3a1ec95af6dcad460c7 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9100000000-82ac7295f5c79a94ec38 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-352da97e65dd9cc16df9 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004j-9040000000-0b86189542286f55e20f | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004j-9000000000-98c2dab693f3635a82c4 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a5e502a2627af2048a1f | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001j-9540000000-adbdd8414bace2c44f56 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9200000000-b929bd8d4139b2fa147a | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0007-9000000000-cbffc4c85bf45fc4aeef | Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 163687 |
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ChEMBL ID | CHEMBL1162524 |
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KEGG Compound ID | C01112 |
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Pubchem Compound ID | 188324 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16241 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB11734 |
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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 | show |
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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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