| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:48 UTC |
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| Update Date | 2025-03-21 18:05:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056938 |
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| Frequency | 55.8 |
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| Structure | |
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| Chemical Formula | C5H12N2O4S |
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| Molecular Mass | 196.0518 |
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| SMILES | NC(CCCS(N)(=O)=O)C(=O)O |
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| InChI Key | PRADIGYGFWSNIK-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 | aminosulfonyl compoundscarbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaminosulfonyl compoundfatty acidorganosulfur compoundorganosulfonic acid amideorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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