| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:21 UTC |
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| Update Date | 2025-03-21 17:58:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016159 |
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| Frequency | 265.6 |
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| Structure | |
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| Chemical Formula | C7H11NO6S |
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| Molecular Mass | 237.0307 |
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| SMILES | NC(CSCC(C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | HQSVAIDZBDERLZ-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethertricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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