| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:14 UTC |
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| Update Date | 2025-03-25 00:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233815 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO6S |
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| Molecular Mass | 253.062 |
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| SMILES | CCCCC=C(NCC(=O)O)OS(=O)(=O)O |
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| InChI Key | YLDPCYVKHBOEMW-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminesulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesamino acidsecondary amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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