| Record Information |
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| Version | 5.0 |
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| Status | Expected but not Quantified |
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| Creation Date | 2025-09-11 15:26:13 UTC |
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| Update Date | 2025-09-11 15:35:01 UTC |
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| HMDB ID | HMDB0341573 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | Deoxynivalenol-3-sulfate |
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| Description | DON-3-sulfate, also known as DON-3-sulphate, belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. Based on a literature review a significant number of articles have been published on DON-3-sulfate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| DON-3-Sulfuric acid | Generator | | DON-3-Sulphate | Generator | | DON-3-Sulphuric acid | Generator |
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| Chemical Formula | C15H20O9S |
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| Average Molecular Weight | 376.38 |
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| Monoisotopic Molecular Weight | 376.082803398 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | Not Available |
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| InChI Key | HNLHVHDWMBSDFR-QGRHZQQGSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Sesquiterpenoids |
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| Direct Parent | Trichothecenes |
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| Alternative Parents | |
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| Substituents | - Trichothecene skeleton
- Cyclohexenone
- Oxepane
- Oxane
- Sulfuric acid monoester
- Sulfate-ester
- Sulfuric acid ester
- Alkyl sulfate
- Organic sulfuric acid or derivatives
- Ketone
- Secondary alcohol
- Cyclic ketone
- Ether
- Oxirane
- Dialkyl ether
- Oxacycle
- Organoheterocyclic compound
- Primary alcohol
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Molecular Properties | | Property | Value | Reference |
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| Melting Point | Not Available | 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 | Not Available |
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| Predicted Chromatographic Properties | Predicted Retention Times Not AvailablePredicted Kovats Retention IndicesNot Available |
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| Spectra |
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| Biological Properties |
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| Cellular Locations | Not Available |
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| Biospecimen Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | |
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| Normal Concentrations |
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| Not Available |
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| Abnormal Concentrations |
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| Not Available |
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| Associated Disorders and Diseases |
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| Disease References | None |
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| Associated OMIM IDs | None |
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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 | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | Not Available |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 101899454 |
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| PDB ID | Not Available |
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| ChEBI ID | 149449 |
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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 | Not Available |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| General References | Not Available |
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