Record Information |
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Version | 1.0 |
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Creation date | 2015-05-07 18:46:59 UTC |
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Update date | 2020-09-17 15:40:21 UTC |
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Primary ID | FDB030188 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 1,3-bisphospho-D-glycerate |
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Description | Glyceric acid 1,3-biphosphate, also known as 1,3-bisphospho-D-glycerate or 3-phospho-D-glyceroyl phosphate, belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. The (R)-enantiomer of 3-phosphoglyceroyl dihydrogen phosphate. Glyceric acid 1,3-biphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Glyceric acid 1,3-biphosphate exists in all living species, ranging from bacteria to humans. Within humans, glyceric acid 1,3-biphosphate participates in a number of enzymatic reactions. In particular, glyceric acid 1,3-biphosphate can be biosynthesized from D-glyceraldehyde 3-phosphate; which is catalyzed by the enzyme glyceraldehyde-3-phosphate dehydrogenase. In addition, glyceric acid 1,3-biphosphate can be biosynthesized from 3-phosphoglyceric acid through the action of the enzyme pantothenate kinase 1. In humans, glyceric acid 1,3-biphosphate is involved in the metabolic disorder called the glycogen storage disease type 1A (gsd1a) or von gierke disease pathway. Outside of the human body, Glyceric acid 1,3-biphosphate has been detected, but not quantified in, several different foods, such as cherry tomato, jostaberries, canada blueberries, lovages, and mamey sapotes. This could make glyceric acid 1,3-biphosphate a potential biomarker for the consumption of these foods. |
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CAS Number | 38168-82-0 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C3H8O10P2 |
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IUPAC name | {[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid |
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InChI Identifier | InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 |
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InChI Key | LJQLQCAXBUHEAZ-UWTATZPHSA-N |
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Isomeric SMILES | O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O |
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Average Molecular Weight | 266.0371 |
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Monoisotopic Molecular Weight | 265.9592695 |
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Classification |
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Description | Belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. |
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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 | Acyl monophosphates |
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Alternative Parents | |
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Substituents | - Acyl monophosphate
- Glyceric_acid
- Monoalkyl phosphate
- Monosaccharide
- Alkyl phosphate
- Carboxylic acid salt
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxide
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic salt
- 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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Physiological effect | Health effect: |
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Disposition | Source: Biological location: |
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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 | 1,3-bisphospho-D-glycerate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9500000000-cb3071f9249ee92b7d2c | Spectrum | Predicted GC-MS | 1,3-bisphospho-D-glycerate, 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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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-1950000000-2cde7b5739871a882542 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014m-3910000000-72f2c46eab2036938056 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9500000000-c835034f0ac11618922d | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-6190000000-6f4870543fc6131d14a7 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-d9d9c6d217a255d791fd | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-1fef400a1ea8ca54c802 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03dj-0090000000-def40aa9bb3094302ce8 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01r2-9040000000-374a9ff8c866f10f2f3c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-4bf2b9a14f4e1c8fc62a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00kb-1390000000-8fe62bbfc56bf59f28a6 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9410000000-e17767e21640a6f81532 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-c41dab2684b9d54afd31 | 2021-09-22 | 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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