| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:24 UTC |
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| Update Date | 2025-03-21 18:32:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091750 |
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| Frequency | 30.6 |
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| Structure | |
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| Chemical Formula | C10H12N2O4S |
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| Molecular Mass | 256.0518 |
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| SMILES | NC(N=CC=C1C=C(C(=O)O)CSC1)C(=O)O |
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| InChI Key | UXAAGTSEVMQTEL-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 | aldiminescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiopyrans |
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| Substituents | carbonyl groupcarboxylic acidiminedialkylthioetherorganic 1,3-dipolar compoundthiopyranpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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