| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:52 UTC |
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| Update Date | 2025-03-21 18:33:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095281 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C6H7NO5S2 |
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| Molecular Mass | 236.9766 |
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| SMILES | O=C(O)CNC(=S)SCC(=O)C(=O)O |
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| InChI Key | NCVYMINBMFZZBP-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 | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesdithiocarbamic acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundalpha-hydroxy ketoneketonedithiocarbamic acid esterorganic oxideorganic oxygen compoundketo acidorganonitrogen compoundalpha-keto acidalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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