Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:40:42 UTC |
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Update date | 2019-11-26 03:21:13 UTC |
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Primary ID | FDB024155 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Tartronate semialdehyde |
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Description | Tartronate semialdehyde, also known as 2-hydroxy-3-oxopropanoate, belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Tartronate semialdehyde exists in all living organisms, ranging from bacteria to humans. Tartronate semialdehyde has been detected, but not quantified in, several different foods, such as kumquats (Fortunella), horned melons (Cucumis metuliferus), other soy product, jew's ears (Auricularia auricula-judae), and spinaches (Spinacia oleracea). This could make tartronate semialdehyde a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Tartronate semialdehyde. |
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CAS Number | 2480-77-5 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C3H4O4 |
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IUPAC name | 2-hydroxy-3-oxopropanoic acid |
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InChI Identifier | InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7) |
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InChI Key | QWBAFPFNGRFSFB-UHFFFAOYSA-N |
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Isomeric SMILES | OC(C=O)C(O)=O |
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Average Molecular Weight | 104.0615 |
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Monoisotopic Molecular Weight | 104.010958616 |
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Classification |
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Description | Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. |
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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 | Monosaccharides |
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Alternative Parents | |
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Substituents | - Alpha-hydroxy acid
- Hydroxy acid
- 1,3-dicarbonyl compound
- Monosaccharide
- Alpha-hydroxyaldehyde
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Aldehyde
- Alcohol
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Short-chain aldehyde
- 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: Source: |
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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 | Tartronate semialdehyde, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-052f-9000000000-a60f01ed6b22e180e045 | Spectrum | Predicted GC-MS | Tartronate semialdehyde, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ac-9440000000-afd8c910b7b1f49d2e62 | Spectrum | Predicted GC-MS | Tartronate semialdehyde, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Tartronate semialdehyde, 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 | splash10-0a4r-9500000000-f812e132ac3b2e736637 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4r-9100000000-ceca81538df1215a85f7 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4u-9000000000-9d63dd3b34de8e05e06e | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-6900000000-e9845cd50bf0a0e27a71 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0pc0-9200000000-a8bdb790ea1f2037fb61 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-3b924f51c31faa2a9e9a | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0zi3-9300000000-607c03f7e8cd6716e11d | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9000000000-f440bef0a5740a66164c | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-87a1803920534b6e560e | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4u-9100000000-46786392dfaa1185c663 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-066u-9000000000-5de8c87d45a4af20988e | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-034038c78b2eda187f41 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 1090 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C01146 |
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Pubchem Compound ID | 1122 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16992 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB06938 |
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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 | |
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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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