| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:41 UTC |
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| Update Date | 2025-03-21 18:02:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040125 |
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| Frequency | 86.3 |
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| Structure | |
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| Chemical Formula | C7H7NO5S |
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| Molecular Mass | 217.0045 |
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| SMILES | O=C(O)C(=O)C1=NC(C(=O)O)CSC1 |
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| InChI Key | UKTBDYCPIMHLSZ-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesazacyclic compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesketiminesketonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthia fatty acids |
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| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundthia fatty acidorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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