| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:43 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO8S |
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| Molecular Mass | 295.0362 |
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| SMILES | NC(CSCC(=O)OC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | WLXWWLACUZCIHP-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethertetracarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganic oxygen compoundthioethercysteine or derivativescarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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