| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:37 UTC |
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| Update Date | 2025-03-25 00:54:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO5S |
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| Molecular Mass | 233.0358 |
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| SMILES | CC(O)(C(=O)O)C1=NC(C(=O)O)CSC1 |
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| InChI Key | CHEUPNKERVSJSO-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 hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstertiary alcoholsthia fatty acids |
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| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidiminealpha-hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycledialkylthioetherorganic 1,3-dipolar compoundhydroxy acidtertiary alcoholthia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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