| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:31 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184208 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H7NO8S |
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| Molecular Mass | 228.9892 |
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| SMILES | NC(C(=O)O)C(=O)OCOS(=O)(=O)O |
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| InChI Key | PCHSQBHOKJKPOK-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 acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalkyl sulfatesalpha amino acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesalpha-amino acid esterorganic oxideorganic oxygen compoundcarboxylic acid esteralkyl sulfateorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundsulfuric acid esterorganooxygen compound |
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