| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:38 UTC |
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| Update Date | 2025-03-21 18:31:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087536 |
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| Frequency | 32.5 |
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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 | O=C(O)CC(NC(CS)C(=O)O)C(=O)O |
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| InChI Key | RENDJFVSJHRCDM-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativessecondary amineorganosulfur compoundorganic oxideorganic oxygen compoundcysteine or derivativesaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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