Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:33:12 UTC |
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Update Date | 2023-02-21 17:19:21 UTC |
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HMDB ID | HMDB0029878 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | D-Tartaric acid |
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Description | D-Tartaric acid, also known as (S,S)-tartrate or D-threaric acid, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. D-Tartaric acid has been detected, but not quantified in, loquats (Eriobotrya japonica). This could make D-tartaric acid a potential biomarker for the consumption of these foods. D-Tartaric acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on D-Tartaric acid. |
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Structure | O[C@@H]([C@H](O)C(O)=O)C(O)=O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 |
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Synonyms | Value | Source |
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(-)-(S,S)-Tartaric acid | ChEBI | (-)-D-Tartaric acid | ChEBI | (-)-Tartaric acid | ChEBI | (-)-Weinsaeure | ChEBI | (2S,3S)-(-)-Tartaric acid | ChEBI | (2S,3S)-Tartaric acid | ChEBI | (S,S)-(-)-Tartaric acid | ChEBI | (S,S)-Tartaric acid | ChEBI | D(-)-TARTARIC ACID | ChEBI | D-(-)-Tartaric acid | ChEBI | D-Threaric acid | ChEBI | Linksweinsaeure | ChEBI | (S,S)-Tartrate | Kegg | D-Tartrate | Kegg | (-)-(S,S)-Tartarate | Generator | (-)-D-Tartarate | Generator | (-)-Tartarate | Generator | (2S,3S)-(-)-Tartarate | Generator | (2S,3S)-Tartarate | Generator | (S,S)-(-)-Tartarate | Generator | (S,S)-Tartarate | Generator | D(-)-TARTARate | Generator | D-(-)-Tartarate | Generator | D-Threarate | Generator | (S,S)-Tartric acid | Generator | D-Tartric acid | Generator | D-Tartarate | Generator | (2S,3S)-2,3-Dihydroxybutanedioic acid | HMDB | Tartrate | HMDB | Calcium tartrate | MeSH | Tartaric acid, ((r*,r*)-(+-))-isomer | MeSH | (R*,r*)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium salt | MeSH | Aluminum tartrate | MeSH | Sodium ammonium tartrate | MeSH | Tartaric acid, (R-(r*,r*))-isomer | MeSH | Tartaric acid, (S-(r*,r*))-isomer | MeSH | Ammonium tartrate | MeSH | Calcium tartrate tetrahydrate | MeSH | Potassium tartrate | MeSH | Seignette salt | MeSH | Sodium potassium tartrate | MeSH | Stannous tartrate | MeSH | Tartaric acid | MeSH | Tartaric acid, (r*,s*)-isomer | MeSH | Tartaric acid, ammonium sodium salt, (1:1:1) salt, (r*,r*)-(+-)-isomer | MeSH | Tartaric acid, calcium salt, (R-r*,r*)-isomer | MeSH | MN(III) tartrate | MeSH | Sodium tartrate | MeSH | Tartaric acid, monoammonium salt, (R-(r*,r*))-isomer | MeSH |
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Chemical Formula | C4H6O6 |
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Average Molecular Weight | 150.0868 |
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Monoisotopic Molecular Weight | 150.016437924 |
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IUPAC Name | (2S,3S)-2,3-dihydroxybutanedioic acid |
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Traditional Name | D-tartaric acid |
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CAS Registry Number | 147-71-7 |
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SMILES | O[C@@H]([C@H](O)C(O)=O)C(O)=O |
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InChI Identifier | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 |
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InChI Key | FEWJPZIEWOKRBE-LWMBPPNESA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
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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 | Sugar acids and derivatives |
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Alternative Parents | |
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Substituents | - Beta-hydroxy acid
- Short-chain hydroxy acid
- Sugar acid
- Monosaccharide
- Hydroxy acid
- Dicarboxylic acid or derivatives
- Alpha-hydroxy acid
- Fatty acid
- Secondary alcohol
- 1,2-diol
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- 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 | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Experimental Collision Cross Sections |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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D-Tartaric acid,1TMS,isomer #1 | C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)C(=O)O | 1393.8 | Semi standard non polar | 33892256 | D-Tartaric acid,1TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)C(=O)O | 1372.7 | Semi standard non polar | 33892256 | D-Tartaric acid,2TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O | 1459.4 | Semi standard non polar | 33892256 | D-Tartaric acid,2TMS,isomer #2 | C[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)C(=O)O | 1490.2 | Semi standard non polar | 33892256 | D-Tartaric acid,2TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O | 1471.2 | Semi standard non polar | 33892256 | D-Tartaric acid,2TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)C(=O)O[Si](C)(C)C | 1461.5 | Semi standard non polar | 33892256 | D-Tartaric acid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O | 1549.0 | Semi standard non polar | 33892256 | D-Tartaric acid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1567.0 | Semi standard non polar | 33892256 | D-Tartaric acid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1665.8 | Semi standard non polar | 33892256 | D-Tartaric acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)[C@H](O)C(=O)O | 1670.2 | Semi standard non polar | 33892256 | D-Tartaric acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)C(=O)O | 1648.3 | Semi standard non polar | 33892256 | D-Tartaric acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O | 1926.6 | Semi standard non polar | 33892256 | D-Tartaric acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 1947.7 | Semi standard non polar | 33892256 | D-Tartaric acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 1944.5 | Semi standard non polar | 33892256 | D-Tartaric acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 1914.7 | Semi standard non polar | 33892256 | D-Tartaric acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2219.8 | Semi standard non polar | 33892256 | D-Tartaric acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2201.9 | Semi standard non polar | 33892256 | D-Tartaric acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2425.8 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - D-Tartaric acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-00dl-9100000000-8bde7767994dfa024f04 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Tartaric acid GC-MS (4 TMS) - 70eV, Positive | splash10-00di-8029100000-283552abf9161a349136 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Tartaric acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tartaric acid LC-ESI-QTOF , negative-QTOF | splash10-000b-7900000000-726ac5a26ac0040576be | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tartaric acid 20V, Negative-QTOF | splash10-0596-9000000000-698b74eb297da7ed080a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tartaric acid 40V, Negative-QTOF | splash10-0007-9000000000-e954c3d69ce9d53ebf7d | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tartaric acid 10V, Negative-QTOF | splash10-000j-9400000000-80b5d59532138e72b995 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Tartaric acid 35V, Negative-QTOF | splash10-0072-9600000000-9aade42ff2130e489743 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 10V, Negative-QTOF | splash10-05bb-7900000000-146a1c7b189a7bbacda0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 20V, Negative-QTOF | splash10-0a4i-9500000000-f7af07684007cf14bdce | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 40V, Negative-QTOF | splash10-0a4i-9000000000-a8f5502da9e4d13e4144 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 10V, Negative-QTOF | splash10-0a4s-4900000000-4b81a8a41abed679d134 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 20V, Negative-QTOF | splash10-0a4i-9200000000-b73e0df104053da76268 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 40V, Negative-QTOF | splash10-052f-9000000000-4d8ce26149e6d7a8763f | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 10V, Positive-QTOF | splash10-0ue9-1900000000-6a73140cfa5a0c0234e3 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 20V, Positive-QTOF | splash10-056r-9600000000-ca8758d1e65f5dbe35d9 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 40V, Positive-QTOF | splash10-0a70-9100000000-1630b812321816f95d11 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 10V, Positive-QTOF | splash10-05o0-3900000000-e52d00e2e7427df264f9 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 20V, Positive-QTOF | splash10-05p9-9300000000-1e180faafcb2fce14102 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Tartaric acid 40V, Positive-QTOF | splash10-0bt9-9000000000-254ae2874ffc06d5337a | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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