| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-05-07 20:03:52 UTC |
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| Update date | 2019-11-26 03:21:53 UTC |
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| Primary ID | FDB030769 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | D-glyceraldehyde |
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| Description | (2r)-2,3-dihydroxypropanal, also known as D-(+)-glyceraldehyde or D-aldotriose, is a member of the class of 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 (2r)-2,3-dihydroxypropanal is soluble (in water) and a very weakly acidic compound (based on its pKa). (2r)-2,3-dihydroxypropanal can be found in a number of food items such as common buckwheat, prickly pear, muskmelon, and garlic, which makes (2r)-2,3-dihydroxypropanal a potential biomarker for the consumption of these food products (2r)-2,3-dihydroxypropanal may be a unique S.cerevisiae (yeast) metabolite. |
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| CAS Number | 453-17-8 367-47-5 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C3H6O3 |
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| IUPAC name | (2R)-2,3-dihydroxypropanal |
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| InChI Identifier | InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1 |
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| InChI Key | MNQZXJOMYWMBOU-VKHMYHEASA-N |
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| Isomeric SMILES | OC[C@@H](O)C=O |
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| Average Molecular Weight | 90.0779 |
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| Monoisotopic Molecular Weight | 90.031694058 |
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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 | - Monosaccharide
- Alpha-hydroxyaldehyde
- Secondary alcohol
- 1,2-diol
- Organic oxide
- Hydrocarbon derivative
- Short-chain aldehyde
- Primary alcohol
- Carbonyl group
- Aldehyde
- 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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| Ontology | No ontology term |
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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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| GC-MS | D-glyceraldehyde, 1 MEOX; 2 TMS, GC-MS Spectrum | splash10-0uk9-3900000000-bf30db5c00007a2fa431 | Spectrum | | GC-MS | D-glyceraldehyde, 1 MEOX; 2 TMS, GC-MS Spectrum | splash10-0w90-2910000000-19f71d420e605faa1ca8 | Spectrum | | Predicted GC-MS | D-glyceraldehyde, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03gl-9000000000-04537fb12b74f4857059 | 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, Negative | splash10-000i-9000000000-7749188cec001a162f6b | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9000000000-08daa6fe14473ac5bc2e | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-bb4eb4e9f59323f2cae5 | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-9000000000-af49bbc2fc7043fc3c04 | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-006x-9000000000-876e932a7b8564c247dd | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0596-9000000000-9dc05bb3457ad5d98b3b | 2016-09-12 | 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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