| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:33 UTC |
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| Update Date | 2025-03-21 18:41:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133053 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C6H9NO4S |
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| Molecular Mass | 191.0252 |
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| SMILES | CSC=NC(CC(=O)O)C(=O)O |
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| InChI Key | XVGYTYIQEKFLMU-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesimidothioestersimidothioic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundfatty acidorganic 1,3-dipolar compoundorganosulfur compoundimidothioesterpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidothioic acid or derivativesorganooxygen compound |
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