| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:41 UTC |
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| Update Date | 2025-03-25 00:45:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150410 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H11NO8S |
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| Molecular Mass | 257.0205 |
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| SMILES | CC(=O)NC(C(=O)O)C(CO)OS(=O)(=O)O |
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| InChI Key | NNJHDGUAWCCLEG-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfated fatty acidssulfuric acid monoesters |
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| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholacetamidealcoholorganic sulfuric acid or derivativesn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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