| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:07 UTC |
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| Update date | 2017-01-19 02:36:39 UTC |
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| FoodComEx ID | PC000862 |
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| FoodDB Record | FDB002261 |
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| Chemical Information |
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| Name | D-Threitol |
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| Description | Found in the edible fungus Armillaria mellea. Constituent of jute (Corchorus capsularis and Corchorus olitorius (Jew's mallow)), and the pigeon pea plant (Cajanus cajan). Threitol in the urine is a biomarker for the consumption of apples and other fruits. |
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| CAS Number | 2418-52-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (-)-Threitol | biospider | | (2R,3R)-1,2,3,4-Butanetetrol | biospider | | (2R,3R)-Butane-1,2,3,4-tetrol | biospider | | (R*,r*)-1,2,3,4-butanetetrol | HMDB | | D-Threitol | biospider | | D-threo-Tetritol | biospider | | Threit | HMDB | | Threitol | HMDB | | Threitol; D-form | db_source |
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| Chemical Formula | C4H10O4 |
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| IUPAC name | (2R,3R)-butane-1,2,3,4-tetrol |
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| InChI Identifier | InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 |
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| InChI Key | UNXHWFMMPAWVPI-UHFFFAOYSA-N |
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| Isomeric SMILES | OCC(O)C(O)CO |
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| Average Molecular Weight | 122.1198 |
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| Monoisotopic Molecular Weight | 122.057908808 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl 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 alcohols |
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| Alternative Parents | |
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| Substituents | - Sugar alcohol
- Secondary alcohol
- Polyol
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Mp 88.5-89° | DFC |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
