| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:34 UTC |
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| Update Date | 2025-03-21 18:33:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097008 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4S2 |
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| Molecular Mass | 249.013 |
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| SMILES | C=CCNC(SCC(=S)C(=O)O)C(=O)O |
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| InChI Key | FSZGPKVXOWOZAF-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 acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthiohemiaminal derivativesthioketones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidthiocarbonyl grouporganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary amineorganic oxygen compoundthioetherdicarboxylic acid or derivativesthioketonehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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