| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:10 UTC |
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| Update Date | 2025-03-25 00:49:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO9S |
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| Molecular Mass | 301.0468 |
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| SMILES | CNC1C(O)CC(O)(C(=O)O)OC1COS(=O)(=O)O |
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| InChI Key | DMYYXOSQLNHYKJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidpyran carboxylic acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldelta amino acid or derivativesoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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