| 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 | DMID02152252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO7S |
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| Molecular Mass | 291.0413 |
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| SMILES | NC(CSC1=CC(O)(C(=O)O)CC(=O)C1O)C(=O)O |
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| InChI Key | NTISOYJVJQQFPI-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 acidsalpha hydroxy acids and derivativescarboxylic acidscyclohexenonesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundstertiary alcoholsthioenol ethers |
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| Substituents | cyclohexenonecarbonyl groupcarboxylic acidalpha-hydroxy acidcyclic ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compoundhydroxy acidtertiary alcoholthioenoletherorganic oxygen compoundcysteine or derivativessecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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