| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:21 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO10S |
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| Molecular Mass | 331.0573 |
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| SMILES | O=C(O)CCNCC1(O)OC(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | SICOURRJSPKDQO-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidamino acidmonosaccharidesaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic amineorganic sulfuric acid or derivativestetrahydrofuransecondary aminebeta amino acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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