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Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2005-11-16 15:48:42 UTC |
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Update Date | 2023-02-21 17:14:59 UTC |
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HMDB ID | HMDB0000613 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Erythronic acid |
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Description | Erythronic acid is a sugar component of aqueous humour (eye). It may be derived from glycated proteins or from degradation of ascorbic acid. Erythronic acid is a normal organic acid present in a healthy adult and pediatric population. It has been found in urine, plasma, CSF, and synovial fluid (PMID: 14708889 , 8087979 , 8376520 , 10420182 ). Erythronic acid is formed when N-acetyl-D-glucosamine (GlcNAc) is oxidized. GlcNAc is a constituent of hyaluronic acid (HA), a polysaccharide consisting of alternating units of glucuronic acid and GlcNAc, present as an aqueous solution in synovial fluid. In the synovial fluid of patients suffering from rheumatoid arthritis, HA is thought to be degraded either by radicals generated by Fenton chemistry (Fe2+/H2O2) or by NaOCl generated by myeloperoxidase (PMID: 10614067 ). |
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Structure | OC[C@@H](O)[C@@H](O)C(O)=O InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1 |
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Synonyms | Value | Source |
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Erythro-2,3,4-trihydroxybutyric acid | ChEBI | Erythro-2,3,4-trihydroxybutyrate | Generator | Erythronate | Generator | (R*,r*)-2,3,4-trihydroxy-butanoate | HMDB | (R*,r*)-2,3,4-trihydroxy-butanoic acid | HMDB | 2,3,4-Trihydroxybutanoate | HMDB | 2,3,4-Trihydroxybutanoic acid | HMDB | D-Erythronate | HMDB | Erythronic acid | ChEBI |
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Chemical Formula | C4H8O5 |
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Average Molecular Weight | 136.1033 |
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Monoisotopic Molecular Weight | 136.037173366 |
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IUPAC Name | (2R,3R)-2,3,4-trihydroxybutanoic acid |
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Traditional Name | erythronic acid |
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CAS Registry Number | 13752-84-6 |
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SMILES | OC[C@@H](O)[C@@H](O)C(O)=O |
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InChI Identifier | InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1 |
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InChI Key | JPIJQSOTBSSVTP-PWNYCUMCSA-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
- Alpha-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Fatty acid
- Secondary alcohol
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Carbonyl group
- Primary alcohol
- 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 | Property | Value | Reference |
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Melting Point | 100 - 102 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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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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Erythronic acid,1TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(=O)O | 1354.5 | Semi standard non polar | 33892256 | Erythronic acid,1TMS,isomer #2 | C[Si](C)(C)O[C@H](CO)[C@@H](O)C(=O)O | 1356.6 | Semi standard non polar | 33892256 | Erythronic acid,1TMS,isomer #3 | C[Si](C)(C)O[C@@H](C(=O)O)[C@H](O)CO | 1359.9 | Semi standard non polar | 33892256 | Erythronic acid,1TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H](O)[C@H](O)CO | 1318.3 | Semi standard non polar | 33892256 | Erythronic acid,2TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)O | 1449.8 | Semi standard non polar | 33892256 | Erythronic acid,2TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)O | 1454.3 | Semi standard non polar | 33892256 | Erythronic acid,2TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(=O)O[Si](C)(C)C | 1437.0 | Semi standard non polar | 33892256 | Erythronic acid,2TMS,isomer #4 | C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)C(=O)O | 1439.3 | Semi standard non polar | 33892256 | Erythronic acid,2TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@H](O)[C@@H](CO)O[Si](C)(C)C | 1416.2 | Semi standard non polar | 33892256 | Erythronic acid,2TMS,isomer #6 | C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@H](O)CO | 1404.9 | Semi standard non polar | 33892256 | Erythronic acid,3TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O | 1521.6 | Semi standard non polar | 33892256 | Erythronic acid,3TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C | 1516.2 | Semi standard non polar | 33892256 | Erythronic acid,3TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1516.3 | Semi standard non polar | 33892256 | Erythronic acid,3TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C | 1506.0 | Semi standard non polar | 33892256 | Erythronic acid,4TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1591.3 | Semi standard non polar | 33892256 | Erythronic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(=O)O | 1633.2 | Semi standard non polar | 33892256 | Erythronic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)C(=O)O | 1624.4 | Semi standard non polar | 33892256 | Erythronic acid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@H](O)CO | 1638.1 | Semi standard non polar | 33892256 | Erythronic acid,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@H](O)CO | 1576.5 | Semi standard non polar | 33892256 | Erythronic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O | 1889.2 | Semi standard non polar | 33892256 | Erythronic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 1924.1 | Semi standard non polar | 33892256 | Erythronic acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 1873.3 | Semi standard non polar | 33892256 | Erythronic acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 1908.6 | Semi standard non polar | 33892256 | Erythronic acid,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 1870.2 | Semi standard non polar | 33892256 | Erythronic acid,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO | 1860.3 | Semi standard non polar | 33892256 | Erythronic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2194.4 | Semi standard non polar | 33892256 | Erythronic acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 2164.7 | Semi standard non polar | 33892256 | Erythronic acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2173.9 | Semi standard non polar | 33892256 | Erythronic acid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2172.6 | Semi standard non polar | 33892256 | Erythronic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[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 | 2390.8 | Semi standard non polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Erythronic acid GC-MS (4 TMS) | splash10-0gc3-1980000000-3bdd6daf86a88d7ca9d8 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Erythronic acid GC-MS (Non-derivatized) | splash10-0gc3-1980000000-3bdd6daf86a88d7ca9d8 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-08i0-9000000000-a6368075271779e24860 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (4 TMS) - 70eV, Positive | splash10-05i9-9135200000-540f14ba652277646ad0 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Erythronic acid GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 10V, Positive-QTOF | splash10-014r-3900000000-2b3d3fb29e0133c070fa | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 20V, Positive-QTOF | splash10-03di-9300000000-9c5553554eff5afd7d2c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 40V, Positive-QTOF | splash10-0r6v-9100000000-b760f5ab8de654f72611 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 10V, Negative-QTOF | splash10-009l-9300000000-cea0b9791733d92b7dac | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 20V, Negative-QTOF | splash10-0abl-9100000000-5893bc2f3c3758ba4459 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 40V, Negative-QTOF | splash10-0ab9-9000000000-b86ae9d1fd6d44595e98 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 10V, Negative-QTOF | splash10-0079-9600000000-6a27bf7d90c481d7453b | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 20V, Negative-QTOF | splash10-0a6r-9000000000-42cf915c3e1d04404a86 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 40V, Negative-QTOF | splash10-052f-9000000000-07a84de0d3017aafde8a | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 10V, Positive-QTOF | splash10-0uxr-4900000000-f56da89e34354eb5ec58 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 20V, Positive-QTOF | splash10-0w93-9400000000-85332419870fbb4b3f79 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Erythronic acid 40V, Positive-QTOF | splash10-0007-9000000000-0708461d5ccadb4dda2e | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | 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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Biological Properties |
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Cellular Locations | - Cytoplasm (predicted from logP)
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Biospecimen Locations | - Blood
- Cerebrospinal Fluid (CSF)
- Feces
- Saliva
- Urine
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Tissue Locations | |
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 2.0 (0.0-5.0) uM | Adult (>18 years old) | Both | Normal | | details | Blood | Detected and Quantified | <5 uM | Adult (>18 years old) | Both | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 5.0 +/- 5.0 uM | Adult (>18 years old) | Not Specified | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Urine | Detected and Quantified | 17.9 (7.1-49.7) umol/mmol creatinine | Newborn (0-30 days old) | Both | Normal | | details | Urine | Detected and Quantified | 18.8 (11.9-36.2) umol/mmol creatinine | Infant (0-1 year old) | Both | Normal | | details | Urine | Detected and Quantified | 8.5 (5.5-22.2) umol/mmol creatinine | Children (1-13 years old) | Both | Normal | | details | Urine | Detected and Quantified | 6.0 (3.9-17.6) umol/mmol creatinine | Adolescent (13-18 years old) | Both | Normal | | details | Urine | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 109.0 +/- 19.0 umol/mmol creatinine | Newborn (0-30 days old) | Both | Normal | | details | Urine | Detected and Quantified | 20.0 +/- 8.0 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details |
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Abnormal Concentrations |
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Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal cancer | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal Cancer | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal cancer | | details | Urine | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Bladder cancer | | details |
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Associated Disorders and Diseases |
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Disease References | Colorectal cancer |
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- Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
- Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
- Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
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Associated OMIM IDs | |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB022143 |
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KNApSAcK ID | C00033834 |
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Chemspider ID | 2061231 |
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KEGG Compound ID | Not Available |
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BioCyc ID | CPD-19877 |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | 5586 |
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PubChem Compound | 2781043 |
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PDB ID | Not Available |
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ChEBI ID | 37655 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Heikkila, Heikki; Alen, Raimo; Kauko, Siru; Lindroos, Mirja; Nurmi, Juha; Sarmala, Paivi; Tylli, Matti. Method for producing xylitol and erythritol from arabinoxylan-containing materials. Eur. Pat. Appl. (2000), 9 pp. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Boulat O, Gradwohl M, Matos V, Guignard JP, Bachmann C: Organic acids in the second morning urine in a healthy Swiss paediatric population. Clin Chem Lab Med. 2003 Dec;41(12):1642-58. [PubMed:14708889 ]
- Guneral F, Bachmann C: Age-related reference values for urinary organic acids in a healthy Turkish pediatric population. Clin Chem. 1994 Jun;40(6):862-6. [PubMed:8087979 ]
- Hoffmann GF, Meier-Augenstein W, Stockler S, Surtees R, Rating D, Nyhan WL: Physiology and pathophysiology of organic acids in cerebrospinal fluid. J Inherit Metab Dis. 1993;16(4):648-69. [PubMed:8412012 ]
- Hoffmann GF, Seppel CK, Holmes B, Mitchell L, Christen HJ, Hanefeld F, Rating D, Nyhan WL: Quantitative organic acid analysis in cerebrospinal fluid and plasma: reference values in a pediatric population. J Chromatogr. 1993 Jul 23;617(1):1-10. [PubMed:8376520 ]
- Harding JJ, Hassett PC, Rixon KC, Bron AJ, Harvey DJ: Sugars including erythronic and threonic acids in human aqueous humour. Curr Eye Res. 1999 Aug;19(2):131-6. [PubMed:10420182 ]
- Jahn M, Baynes JW, Spiteller G: The reaction of hyaluronic acid and its monomers, glucuronic acid and N-acetylglucosamine, with reactive oxygen species. Carbohydr Res. 1999 Oct 15;321(3-4):228-34. [PubMed:10614067 ]
- Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
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