| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:29 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152248 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6S |
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| Molecular Mass | 263.0464 |
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| SMILES | NC(CSC1C(=O)C(O)CC1C(=O)O)C(=O)O |
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| InChI Key | FMYOCUAZRZLANY-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarboxylic acidscyclic alcohols and derivativescyclic ketonescyclopentanolsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidcyclic ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compounddialkylthioethercyclic alcoholcyclopentanolorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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